|
Records |
Links |
|
Author |
Li, M.R.; Retuerto, M.; Bok Go, Y.; Emge, T.J.; Croft, M.; Ignatov, A.; Ramanujachary, K.V.; Dachraoui, W.; Hadermann, J.; Tang, M.B.; Zhao, J.T.; Greenblatt, M.; |
|
|
Title |
Synthesis, crystal structure, and properties of KSbO3-type Bi3Mn1.9Te1.1O11 |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
197 |
Issue |
|
Pages |
543-549 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Single crystals of Bi3Mn1.9Te1.1O11 were prepared from NaCl+KCl flux. This compound adopts KSbO3-type crystal structure as evidenced by electron and single crystal X-ray diffraction analysis. The three-dimensional channel structure is formed by corner-sharing octahedral (Mn0.63Te0.37)2O10 dimers and two identical (Bi1)4(Bi2)2 interpenetrating lattices. The intra-dimer Mn/TeMn/Te distances in Bi3Mn1.9Te1.1O11 are short and are consistent with weak metalmetal interactions. The mixed oxidation state of manganese and the edge-sharing octahedral features are confirmed by X-ray near edge absorption spectroscopy measurements, which indicate Bi3(MnIII1.1MnIV0.8)TeVI1.1O11 with 57.7% Mn3+ and 42.3% Mn4+. The partial substitution of Te for Mn perturbs long-range magnetic interactions, thereby destroying the ferromagnetic ordering found in Bi3Mn3O11 (TC=150 K). |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000312281000076 |
Publication Date |
2012-07-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
13 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 2013 IF: 2.200 |
|
|
Call Number |
UA @ lucian @ c:irua:101779 |
Serial |
3452 |
|
Permanent link to this record |
|
|
|
|
Author |
Shpanchenko, R.V.; Chernaya, V.V.; Antipov, E.V.; Hadermann, J.; Kaul, E.E.; Geibel, C. |
|
|
Title |
Synthesis, structure and magnetic properties of the new mixed-valence vanadate Na2SrV3O9 |
Type |
A1 Journal article |
|
Year |
2003 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
173 |
Issue |
|
Pages |
244-250 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000183489700032 |
Publication Date |
2003-03-15 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 2003 IF: 1.413 |
|
|
Call Number |
UA @ lucian @ c:irua:42055 |
Serial |
3461 |
|
Permanent link to this record |
|
|
|
|
Author |
Abakumov, A.M.; Hadermann, J.; Kalyuzhnaya, A.S.; Rozova, M.G.; Mikheev, M.G.; Van Tendeloo, G.; Antipov, E.V. |
|
|
Title |
Ca6.3Mn3Ga4.4Al1.3O18: a novel complex oxide with 3D tetrahedral framework |
Type |
A1 Journal article |
|
Year |
2005 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
178 |
Issue |
10 |
Pages |
3137-3144 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000232418200022 |
Publication Date |
2005-08-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
|
|
|
Notes |
Iap V-1; Rfbr; Intas – Ysf |
Approved |
Most recent IF: 2.299; 2005 IF: 1.725 |
|
|
Call Number |
UA @ lucian @ c:irua:55030 |
Serial |
3520 |
|
Permanent link to this record |
|
|
|
|
Author |
Korneychik, O.E.; Batuk, M.; Abakumov, A.M.; Hadermann, J.; Rozova, M.G.; Sheptyakov, D.V.; Pokholok, K.V.; Filimonov, D.S.; Antipov, E.V. |
|
|
Title |
Pb2.85Ba2.15Fe4SnO13 : a new member of the AnBnO3n-2 anion-deficient perovskite-based homologous series |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
184 |
Issue |
12 |
Pages |
3150-3157 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Pb2.85Ba2.15Fe4SnO13, a new n=5 member of the anion-deficient perovskite based AnBnO3n−2 (A=Pb, Ba, B=Fe, Sn) homologous series, was synthesized by the solid state method. The crystal structure of Pb2.85Ba2.15Fe4SnO13 was investigated using a combination of neutron powder diffraction, electron diffraction, high angle annular dark field scanning transmission electron microscopy and Mössbauer spectroscopy. It crystallizes in the Ammm space group with unit cell parameters a=5.7990(1) Å, b=4.04293(7) Å and c=26.9561(5) Å. The Pb2.85Ba2.15Fe4SnO13 structure consists of quasi two-dimensional perovskite blocks separated by 1/2[110](1̄01)p crystallographic shear (CS) planes. The corner-sharing FeO6 octahedra at the CS planes are transformed into edge-sharing FeO5 distorted tetragonal pyramids. The octahedral positions in the perovskite blocks between the CS planes are jointly taken up by Fe and Sn, with a preference of Sn towards the position at the center of the perovskite block. The chains of FeO5 pyramids and (Fe,Sn)O6 octahedra of the perovskite blocks delimit six-sided tunnels at the CS planes occupied by double chains of Pb atoms. The compound is antiferromagnetically ordered below TN=368±15 K. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000297662500003 |
Publication Date |
2011-09-30 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
7 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
|
|
Call Number |
UA @ lucian @ c:irua:94013 |
Serial |
3550 |
|
Permanent link to this record |
|
|
|
|
Author |
Batuk, M.; Batuk, D.; Abakumov, A.M.; Hadermann, J. |
|
|
Title |
Pb5Fe3TiO11Cl : a rare example of Ti(IV) in a square pyramidal oxygen coordination |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
215 |
Issue |
|
Pages |
245-252 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
A new oxychloride Pb5Fe3TiO11Cl has been synthesized using the solid state method. Its crystal and magnetic structure was investigated in the 1.5550 K temperature range using electron diffraction, high angle annular dark field scanning transmission electron microscopy, atomic resolution energy dispersive X-ray spectroscopy, neutron and X-ray powder diffraction. At room temperature Pb5Fe3TiO11Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Å and c=19.3345(2) Å. Pb5Fe3TiO11Cl is a new n=4 member of the oxychloride perovskite-based homologous series An+1BnO3n−1Cl. The structure is built of truncated Pb3Fe3TiO11 quadruple perovskite blocks separated by CsCl-type Pb2Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O6 octahedra sandwiched between two layers of (Fe,Ti)O5 square pyramids. The Ti4+ cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti4+ in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb5Fe3TiO11Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) μB and 3.86(5) μB on the octahedral and square-pyramidal sites, respectively. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000336891300037 |
Publication Date |
2014-04-12 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
Fwo G.0184.09n. |
Approved |
Most recent IF: 2.299; 2014 IF: 2.133 |
|
|
Call Number |
UA @ lucian @ c:irua:117066 |
Serial |
3551 |
|
Permanent link to this record |
|
|
|
|
Author |
Gillie, L.J.; Hadermann, J.; Pérez, O.; Martin, C.; Hervieu, M.; Suard, E. |
|
|
Title |
SrMn3O6: an incommensurate modulated tunnel structure |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
177 |
Issue |
|
Pages |
3383-3391 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000224465500020 |
Publication Date |
2004-07-21 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
19 |
Open Access |
|
|
|
Notes |
Scootmo: Hrpn-Ct-2002-00293; Super-Gmr: Hprn-Ct-2002-0021 |
Approved |
Most recent IF: 2.299; 2004 IF: 1.815 |
|
|
Call Number |
UA @ lucian @ c:irua:49463 |
Serial |
3562 |
|
Permanent link to this record |
|
|
|
|
Author |
Battle, P.D.; Avdeev, M.; Hadermann, J. |
|
|
Title |
The interplay of microstructure and magnetism in La3Ni2SbO9 |
Type |
A1 Journal article |
|
Year |
2014 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
220 |
Issue |
|
Pages |
163-166 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
La3Ni2SbO9 adopts a perovskite-related structure in which the six-coordinate cation sites are occupied alternately by Ni2+ and a disordered arrangement of Ni2+/Sb5+. A polycrystalline sample has been studied by neutron diffraction in applied magnetic fields of 0 <= H/kOe <= 50 at 5 K. In 0 kOe, weak magnetic Bragg scattering consistent with the adoption of a G-type ferrimagnetic structure is observed; the ordered component of the magnetic moment was found to be 0.89(7) mu(B) per Ni2+ cation. This increased to 1.60(3) mu(B) in a field of 50 kOe. Transmission electron microscopy revealed variations in the Ni:Sb ratio across crystallites of the sample. It is proposed that these composition variations disrupt the magnetic superexchange interactions within the compound, leading to domain formation and a reduced average moment. The application of a magnetic field aligns the magnetisation vectors across the crystal and the average moment measured by neutron diffraction increases accordingly. The role played by variations in the local chemical composition in determining the magnetic properties invites comparison with the behaviour of relaxor ferroelectrics. (C) 2014 Elsevier Inc. All rights reserved. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000343346100024 |
Publication Date |
2014-09-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
13 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 2014 IF: 2.133 |
|
|
Call Number |
UA @ lucian @ c:irua:121134 |
Serial |
3588 |
|
Permanent link to this record |
|
|
|
|
Author |
Dixon, E.; Hadermann, J.; Hayward, M.A. |
|
|
Title |
The synthesis and complex anion-vacancy ordered structure of La0.33Sr0.67MnO2.42 |
Type |
A1 Journal article |
|
Year |
2011 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
184 |
Issue |
7 |
Pages |
1791-1799 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The low-temperature topotactic reduction of La0.33Sr0.67MnO3 with NaH results in the formation of La0.33Sr0.67MnO2.42. A combination of neutron powder and electron diffraction data show that La0.33Sr0.67MnO2.42 adopts a novel anion-vacancy ordered structure with a 6-layer OOTOOT' stacking sequence of the octahedral and tetrahedral layers (Pcmb, a=5.5804(1) Å, b=23.4104(7) Å, c=11.2441(3) Å). A significant concentration of anion vacancies at the anion site, which links neighbouring octahedral layers means that only 25% of the octahedral manganese coordination sites actually have 6-fold MnO6 coordination, the remainder being MnO5 square-based pyramidal sites. The chains of cooperatively twisted apex-linked MnO4 tetrahedra adopt an ordered -LRLR- arrangement within each tetrahedral layer. This is the first published example of a fully refined structure of this type which exhibits such intralayer ordering of the twisted tetrahedral chains. The rationale behind the contrasting structures of La0.33Sr0.67MnO2.42 and other previously reported reduced La1−xSrxMnO3−y phases is discussed. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000292718500032 |
Publication Date |
2011-05-26 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
8 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299; 2011 IF: 2.159 |
|
|
Call Number |
UA @ lucian @ c:irua:90885 |
Serial |
3600 |
|
Permanent link to this record |
|
|
|
|
Author |
Fedotov, S.S.; Kuzovchikov, S.M.; Khasanova, N.R.; Drozhzhin, O.A.; Filimonov, D.S.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V. |
|
|
Title |
Synthesis, structure and electrochemical properties of LiNaCo0.5Fe0.5PO4F fluoride-phosphate |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
242 |
Issue |
242 |
Pages |
70-77 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
LiNaCo 0.5 Fe 0.5 PO 4 F fluoride-phosphate was synthesized via conventional solid-state and novel freeze-drying routes. The crystal structure was refined based on neutron powder diffraction (NPD) data and validated by electron diffraction (ED) and high-resolution transmission electron microscopy (HRTEM). The alkali ions are ordered in LiNaCo 0.5 Fe 0.5 PO 4 F and the transition metals jointly occupy the same crystallographic sites. The oxidation state and oxygen coordination environment of the Fe atoms were verified by 57 Fe Mössbauer spectroscopy. Electrochemical tests of the LiNaCo 0.5 Fe 0.5 PO 4 F cathode material demonstrated a reversible activity of the Fe 3+ /Fe 2+ redox couple at the electrode potential near 3.4 V and minor activity of the Co 3+ /Co 2+ redox couple over 5 V vs Li/Li + . The material exhibits a good capacity retention in the 2.4÷4.6 V vs Li/Li + potential range with the delivered discharge capacity of more than 82% (theo.) regarding Fe 3+ /Fe 2+ . |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000383304900010 |
Publication Date |
2016-02-27 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
1 |
Open Access |
|
|
|
Notes |
The authors kindly thank Dr. O. A. Shlyakhtin for the assistance in the freeze-drying synthesis. We are grateful to the Laboratory for Neutron Scattering and Imaging (NLS) at the Paul Scherrer Institut (Villigen, Switzerland) for granting beam time at the HRPT diffractometer and to Dr. D. V. Sheptyakov for the technical support during the experiment. The work was partly supported by Russian Foundation for Basic Research (RFBR grant 13-03-00495a, 14-29-04064 ofim, 16-33-01131 mola), Skoltech Center for Electrochemical Energy Storage and Moscow State University Development Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N. |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
c:irua:133776 |
Serial |
4075 |
|
Permanent link to this record |
|
|
|
|
Author |
Tang, Y.; Hunter, E.C.; Battle, P.D.; Sena, R.P.; Hadermann, J.; Avdeev, M.; Cadogan, J.M. |
|
|
Title |
Structural chemistry and magnetic properties of the perovskite Sr3Fe2TeO9 |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
242 |
Issue |
242 |
Pages |
86-95 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
A polycrystalline sample of perovskite-like Sr3Fe2TeO9 has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. The majority of the reaction product is shown to be a trigonal phase with a 2:1 ordered arrangement of Fe3+ and Te6+ cations. However, the sample is prone to nano twinning and tetragonal domains with a different pattern of cation ordering exist within many crystallites. Antiferromagnetic ordering exists in the trigonal phase at 300 K and Sr3Fe2TeO9 is thus the first example of a perovskite with 2:1 trigonal cation ordering to show long-range magnetic order. At 300 K the antiferromagnetic phase coexists with two paramagnetic phases which show spin -glass behaviour below similar to 80 K. (C) 2016 The Authors. Published by Elsevier Inc. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000382429600012 |
Publication Date |
2016-06-29 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
12 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ lucian @ c:irua:135682 |
Serial |
4310 |
|
Permanent link to this record |
|
|
|
|
Author |
Sena, R.P.; Hadermann, J.; Chin, C.-M.; Hunter, E.C.; Battle, P.D. |
|
|
Title |
Structural chemistry and magnetic properties of the perovskite SrLa2Ni2TeO9 |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
243 |
Issue |
243 |
Pages |
304-311 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
A polycrystalline sample of SrLa2Ni2TeO9 has been synthesized using a standard ceramic method and characterized by neutron diffraction, magnetometry and electron microscopy. The compound adopts a monoclinic, perovskite-like structure with space group P2(1)/n in and unit cell parameters a=5.6008(1), b = 5.5872(1), c=7.9018(2) angstrom, p=90.021(6)degrees at room temperature. The two crystallographically-distinct B sites are occupied by Ni2+ and Te6+ in ratios of 83:17 and 50:50. Both ac and dc magnetometry suggest that the compound is a spin glass below 35 K but the neutron diffraction data show that some regions of the sample are antiferromagnetic. Electron microscopy revealed twinning on a nanoscale and local variations in composition. These defects are thought to be responsible for the presence of two distinct types of antiferromagnetic ordering. (C) 2016 The Authors. Published by Elsevier Inc. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000384874100041 |
Publication Date |
2016-09-09 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
6 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ lucian @ c:irua:137232 |
Serial |
4403 |
|
Permanent link to this record |
|
|
|
|
Author |
Ben Hafsia, A.; Hendrickx, M.; Batuk, M.; Khitouni, M.; Hadermann, J.; Greneche, J.-M.; Rammeh, N. |
|
|
Title |
Crystal structure study of manganese and titanium substituted BaLaFe2O6-δ |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
251 |
Issue |
251 |
Pages |
186-193 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Barium lanthanum ferrite and four Mn/Ti substituted materials were synthesized by the sol-gel method. The crystal structure of the materials was studied by a combination of X-ray powder diffraction, electron diffraction, scanning transmission electron microscopy and 57Fe Mössbauer spectrometry. BaLaFe2O6-δ has a cubic perovskite structure and Ba0.7La1.3FeMnO6-δ is distorted perovskite with the R-3c symmetry, both from electron diffraction and X-ray powder diffraction. However, according to transmission electron microscopy, the crystals of BaLaFeTiO6-δ, BaLaFeTi0.5Mn0.5O6-δ, and BaLaFe0.5Ti0.5MnO6-δ consist of nanodomains with different symmetries (Pm3m next to R-3c due to octahedral tilts), whereas the bulk X-ray powder diffraction patterns for these compounds correspond to the simple cubic structure. 57Fe Mössbauer spectrometry confirms that all materials contain high spin state Fe3+ ions which are strongly influenced by the chemical disorder
resulting from various cationic environments. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000402581200024 |
Publication Date |
2017-04-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
|
Open Access |
Not_Open_Access |
|
|
Notes |
This study has been supported by the Tunisian Ministry of Higher Education and Scientific Research and by the University of Antwerp BOF Grant 33024 funding scheme. |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
EMAT @ emat @ c:irua:143988 |
Serial |
4582 |
|
Permanent link to this record |
|
|
|
|
Author |
Hunter, E.C.; Battle, P.D.; Sena, R.P.; Hadermann, J. |
|
|
Title |
Ferrimagnetism as a consequence of cation ordering in the perovskite LaSr2Cr2SbO9 |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
248 |
Issue |
|
Pages |
96-103 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
A polycrystalline sample of LaSr2Cr2SbO9 has been synthesised using a standard ceramic method and characterized by x-ray and neutron diffraction, magnetometry and electron microscopy. The perovskite-related compound crystallises in the triclinic space group I1 with unit cell parameters of a=5.5344(6) angstrom, b=5.5562(5) angstrom, c=7.8292(7) angstrom, a=89.986(12)degrees, beta=90.350(5)degrees and gamma=89.926(9)degrees at room temperature. The two crystallographically-distinct, six-coordinate cation sites are occupied by Cr3+ and Sb5+ in ratios of 0.868(2):0.132(2) and 0.462(2):0.538(2). Ac and de magnetometry revealed that LaSr2Cr2SbO9 is ferrimagnetic below 150 K with a magnetisation of similar to 1.25 mu(B) per formula unit in 50 kOe at 5 K. Neutron diffraction showed that the cations on the two sites order in a G-type arrangement with a mean Cr3+ moment of 2.17(1) mu(B) at 5 K, consistent with a magnetisation of 1.32 mu(B) per formula unit. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000396386300012 |
Publication Date |
2017-01-31 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
14 |
Open Access |
Not_Open_Access |
|
|
Notes |
; Experiments at the ISIS Pulsed Neutron and Muon Source were supported by the STFC. We are grateful to I. da Silva for the assistance provided at ISIS and to the EPSRC for financial support under Grant EP/M018954/1. We also thank Diamond Light Source Ltd (EE13284) for the award of beamtime. ; |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ lucian @ c:irua:142413 |
Serial |
4657 |
|
Permanent link to this record |
|
|
|
|
Author |
Chin, C.-M.; Sena, R.P.; Hunter, E.C.; Hadermann, J.; Battle, P.D. |
|
|
Title |
Interplay of structural chemistry and magnetism in perovskites : a study of CaLn2Ni2WO9: Ln=La, Pr, Nd |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
251 |
Issue |
|
Pages |
224-232 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Polycrystalline samples of CaLn(2)Ni(2)WO(9) (Ln=La, Pr, Nd) have been synthesized and characterised by a combination of X-ray and neutron diffraction, electron microscopy and magnetometry. Each composition adopts a perovskite-like structure with a similar to 5.50, b similar to 5.56, c similar to 7.78 angstrom beta similar to 90.1 degrees in space group P2(1)/n. Of the two crystallographically distinct six-coordinate sites, one is occupied entirely (Ln=Pr) or predominantly (Ln=La, Nd) by Ni2+ and the other by Ni2+ and W6+ in a ratio of approximately 1:2. None of the compounds shows long-range magnetic order at 5 K. The magnetometry data show that the magnetic moments of the Ni2+ cations form a spin glass below 30 K in each case. The Pr3+ moments in CaPr2Ni2WO9 also freeze but the Nd3+ moments in CaNd2Ni2WO9 do not. This behaviour is contrasted with that observed in other (A,A')B2B'O-9 perovskites. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000402581200030 |
Publication Date |
2017-04-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
OpenAccess |
|
|
Notes |
; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and Oxford University for a graduate scholarship. We are grateful to Ivan da Silva who provided experimental assistance at ISIS and to Maria Batuk for help with the STEM-EDX analysis. ; |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ lucian @ c:irua:144179 |
Serial |
4664 |
|
Permanent link to this record |
|
|
|
|
Author |
Tang, Y.; Sena, R.P.; Aydeev, M.; Battle, P.D.; Cadogan, J.M.; Hadermann, J.; Hunter, E.C. |
|
|
Title |
Magnetic properties of the 6H perovskite Ba3Fe2TeO9 |
Type |
A1 Journal article |
|
Year |
2017 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
253 |
Issue |
|
Pages |
347-354 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
A polycrystalline sample of Ba3Fe2TeO9 having the 6H perovskite structure has been prepared in a solid-state reaction and studied by a combination of electron microscopy, Mossbauer spectroscopy, magnetometry, X-ray diffraction and neutron diffraction. Partial ordering of Fe3+ and Te6+ cations occurs over the six-coordinate sites; the corner-sharing octahedra are predominantly occupied by the former and the face-sharing octahedra by a 1:1 mixture of the two. On cooling through the temperature range 18 < T/K < 295 an increasing number of spins join an antiferromagnetic backbone running through the structure while the remainder show complex relaxation effects. At 3 K an antiferromagnetic phase and a spin glass coexist. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000406572600047 |
Publication Date |
2017-06-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
6 |
Open Access |
OpenAccess |
|
|
Notes |
; We thank EPSRC for financial support through grant EP/M018954/1. ; |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ lucian @ c:irua:145692 |
Serial |
4743 |
|
Permanent link to this record |
|
|
|
|
Author |
Chin, C.-M.; Battle, P.D.; Blundell, S.J.; Hunter, E.; Lang, F.; Hendrickx, M.; Sena, R.P.; Hadermann, J. |
|
|
Title |
Comparative study of the magnetic properties of La3Ni2B'O9 for B' = Nb, Ta or Sb |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
258 |
Issue |
258 |
Pages |
825-834 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Polycrystalline samples of La3Ni2NbO9 and La3Ni2TaO9 have been characterised by X-ray and neutron diffraction, electron microscopy, magnetometry and muon spin relaxation (mu SR); the latter technique was also applied to La3Ni2SbO9. On the length scale of a neutron diffraction experiment, the six-coordinate sites of the monoclinic perovskite structure are occupied in a 1:1 ordered manner by Ni and a random 1/3Ni/2/3B' mixture. Electron microscopy demonstrated that this 1:1 ordering is maintained over microscopic distances, although diffuse scattering indicative of short-range ordering on the mixed site was observed. No magnetic Bragg scattering was observed in neutron diffraction patterns collected from La3Ni2B'O-9 (B' = Nb or Ta) at 5 K although in each case mu SR identified the presence of static spins below 30 K. Magnetometry showed that La3Ni2NbO9 behaves as a spin glass below 29 K but significant short-range interactions are present in La3Ni2NbO9 below 85 K. The contrasting properties of these compounds are discussed in terms of their microstructure. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000423650400107 |
Publication Date |
2017-12-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
6 |
Open Access |
Not_Open_Access |
|
|
Notes |
; We thank EPSRC for funding through Grants EP/M0189541 and EP/N023803. CMC thanks the Croucher Foundation and Oxford University for a graduate scholarship. We are grateful E. Suard for experimental assistance at ILL. ; |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ lucian @ c:irua:149284 |
Serial |
4928 |
|
Permanent link to this record |
|
|
|
|
Author |
Istomin, S.Y.; Morozov, A.V.; Abdullayev, M.M.; Batuk, M.; Hadermann, J.; Kazakov, S.M.; Sobolev, A.V.; Presniakov, I.A.; Antipov, E.V. |
|
|
Title |
High-temperature properties of (La,Ca)(Fe,Mg,Mo)O3-\delta perovskites as prospective electrode materials for symmetrical SOFC |
Type |
A1 Journal article |
|
Year |
2018 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
258 |
Issue |
258 |
Pages |
1-10 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
La1-yCayFe0.5+x(Mg,Mo)(0.5-x)O3-delta oxides with the orthorhombic GdFeO3-type perovskite structure have been synthesized at 1573 K. Transmission electron microscopy study for selected samples shows the coexistence of domains of perovskite phases with ordered and disordered B-cations. Mossbauer spectroscopy studies performed at 300 K and 573 K show that while compositions with low Ca-content (La0.55Ca0.45Fe0.5Mg0.2625Mo0.2375O3-delta and La0.5Ca0.5Fe0.6Mg0.175Mo0.225O3-delta) are nearly oxygen stoichiometric, La0.2Ca0.8Fe0.5Mg0.2625Mo0.2375O3-delta is oxygen deficient with delta approximate to 0.15. Oxides are stable in reducing atmosphere (Ar/H-2, 8%) at 1173 K for 12 h. No additional phases have been observed at XRPD patterns of all studied perovskites and Ce1-xGdxO2-x/2 electrolyte mixtures treated at 1173-1373K, while Fe-rich compositions (x >= 0.1) react with Zr1-xYxO2-x/2 electrolyte above 1273 K. Dilatometry studies reveal that all samples show rather low thermal expansion coefficients (TECs) in air of 11.4-12.7 ppm K-1. In reducing atmosphere their TECs were found to increase up to 12.1-15.4 ppm K-1 due to chemical expansion effect. High-temperature electrical conductivity measurements in air and Ar/H-2 atmosphere show that the highest conductivity is observed for Fe- and Ca-rich compositions. Moderate values of electrical conductivity and TEC together with stability towards chemical interaction with typical SOFC electrolytes make novel Fe-containing perovskites promising electrode materials for symmetrical solid oxide fuel cell. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
London |
Editor |
|
|
|
Language |
|
Wos |
000423650400001 |
Publication Date |
2017-10-11 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
5 |
Open Access |
Not_Open_Access |
|
|
Notes |
; This work was financially supported by Russian Science Foundation (project number 16-13-10327). ; |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ lucian @ c:irua:149283 |
Serial |
4936 |
|
Permanent link to this record |
|
|
|
|
Author |
Chin, C.-M.; Battle, P.D.; Hunter, E.C.; Avdeev, M.; Hendrickx, M.; Hadermann, J. |
|
|
Title |
Stabilisation of magnetic ordering in La3Ni2-xCuxB'O9(B'=Sb,Ta,Nb) by the introduction of Cu2+ |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
276 |
Issue |
276 |
Pages |
164-172 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
La3Ni2-xCuxB'O-9 (x = 0.25; B' = Sb, Ta, Nb: x = 0.5; B' = Nb) have been synthesized and characterised by transmission electron microscopy, neutron diffraction and magnetometry. Each adopts a perovskite-like structure (space group P2(1)/n) with two crystallographically-distinct six-coordinate sites, one occupied by a disordered arrangement of Ni2+ and Cu2+ and the other by a disordered similar to 1:2 distribution of Ni2+ and B'(5+), although some Cu2+ is found on the latter site when x = 0.5. Each composition undergoes a magnetic transition in the range 90 <= T/K <= 130 and shows a spontaneous magnetisation at 5 K; the transition temperature always exceeds that of the x = 0 composition by >= 30 K. A long-range ordered G-type ferrimagnetic structure is present in each composition, but small relaxor domains are also present. This contrasts with the pure relaxor and spin-glass behaviour of x = 0, B' = Ta, Nb, respectively. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000473372400023 |
Publication Date |
2019-05-09 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
2 |
Open Access |
|
|
|
Notes |
; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and the University of Oxford for the award of a graduate scholarship. ; |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ admin @ c:irua:161199 |
Serial |
5396 |
|
Permanent link to this record |
|
|
|
|
Author |
Kirsanova, M.A.; De Sloovere, D.; Karakulina, O.M.; Hadermann, J.; Van Bael, M.K.; Hardy, A.; Abakumov, A.M. |
|
|
Title |
Toward unlocking the Mn3+/Mn2+ redox pair in alluaudite-type Na2+2zMn2-z(SO4)3-x(SeO4)x cathodes for sodium-ion batteries |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Journal of solid state chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
277 |
Issue |
277 |
Pages |
804-810 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
In polyanion cathodes, the inductive effect alters the potential of a M(n+1)+/Mn+ redox couple (M – transition metal) according to the electronegativity of the X cation in the polyanion groups (XO4m+). To manipulate the operating potential, we synthesized a series of mixed sulfate-selenate alluaudites, with structure formulas Na2+2zMn2-z(SO4)(3-x)(SeO4)(x) and Na2.81Ni1.60(SO4)(1.43)(SeO4)(1.57). Their crystal structure was determined from powder X-ray diffraction data, revealing that the Mn-based alluaudites form solid solutions with the same crystal structure for x = 0.75; 1.125 and 1.5. Na2.81Ni1.60(SO4)(1.43)(SeO4)(1.57) is isostructural to the Mn-based alluaudites. Although the Na2+2zMn2-z(SO4)(3-x)(SeO4)(x) compound with the highest selenium content demonstrates a reversible discharge capacity of 60 mAh g(-1), only a small part of this electrochemical activity can be ascribed to the Mn3+/Mn2+ redox couple. The redox potential of the Mn3+/Mn2+ pair in Na2+2zMn2-z(SO4)(3-)x(SeO4)(x) decreases with increasing values of x, in agreement with the lower electronegativity of Se compared to that of S. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000481726300103 |
Publication Date |
2019-07-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
2.299 |
Times cited |
|
Open Access |
|
|
|
Notes |
; The authors thank the Russian Foundation for Basic Research for financial support (grant 17-03-00370), in addition to Research Foundation-Flanders (project No G040116). ; |
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ admin @ c:irua:162852 |
Serial |
5401 |
|
Permanent link to this record |
|
|
|
|
Author |
Hendrickx, M.; Tang, Y.; Hunter, E.C.; Battle, P.D.; Hadermann, J. |
|
|
Title |
Structural and magnetic properties of the perovskites A₂LaFe₂SbO₉ (A = Ca, Sr, Ba) |
Type |
A1 Journal article |
|
Year |
2021 |
Publication |
Journal Of Solid State Chemistry |
Abbreviated Journal |
J Solid State Chem |
|
|
Volume |
295 |
Issue |
|
Pages |
121914 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Polycrystalline samples of A(2)LaFe(2)SbO(9) (A = Ca, Sr, Ba) perovskites appeared monophasic to X-ray or neutron powder diffraction but a single-crystal study utilising transmission electron microscopy revealed a greater level of complexity. Although local charge balance is maintained, compositional and structural variations are present among and within the submicron-sized crystals. Despite the inhomogeneity, A = Ca is monophasic with a partially-ordered distribution of Fe3+ and Sb5+ cations across two crystallographically-distinct octahedral sites, i.e. Ca2La(Fe1.25Sb0.25)(2d) (Fe0.75Sb0.75)(2c)O-9. For A = Sr or Ba, the inhomogeneities result in differences in the filling patterns of the octahedra and the ordering of the B cations. Particles of A = Sr contain a phase (Fe:Sb similar to 2:1) without B cation ordering and one (Fe:Sb similar to 1:1) with B cation ordering. Monophasic A = Ba lacks long-range cation order although ordered nanodomains are present within the disordered phase. The temperature dependence of the magnetic properties of each sample is discussed. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000615711800013 |
Publication Date |
2020-12-17 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-4596 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.299 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 2.299 |
|
|
Call Number |
UA @ admin @ c:irua:176663 |
Serial |
6739 |
|
Permanent link to this record |
|
|
|
|
Author |
Gholam, S.; Hadermann, J. |
|
|
Title |
The effect of the acceleration voltage on the quality of structure determination by 3D-electron diffraction |
Type |
A1 Journal Article |
|
Year |
2024 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
|
Volume |
266 |
Issue |
|
Pages |
114022 |
|
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
|
Abstract |
Nowadays, 3D Electron Diffraction (3DED) is widely used for the structure determination of sub-micron-sized particles. In this work, we investigate the influence of the acceleration voltage on the quality of 3DED datasets acquired on BaTiO3 nanoparticles. Datasets were acquired using a wide range of beam energies, from common, high acceleration voltages (300 kV and 200 kV) to medium (120 kV and 80 kV) and low acceleration voltages (60 kV and 30 kV). In the integration process, Rint increases as the beam energy reduces, which is mainly due to the increased dynamical scattering. Nevertheless, the structure was solved successfully in all cases. The structure refinement was comparable for all beam energies with small deficiencies such as negative atomic displacements for the heaviest atom in the structure, barium. Including extinction correction in the refinement noticeably improved the model for low acceleration voltages, probably due to higher beam absorption in these cases. Dynamical refinement, however, shows superior results for higher acceleration voltages, since the dynamical refinement calculations currently discard inelastic scattering effects. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001297 |
Publication Date |
2024-08-05 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
2.2 |
Times cited |
|
Open Access |
|
|
|
Notes |
The authors acknowledge funding from the Research Foundation Flanders (FWO, Belgium) project SBO S000121N. The authors are also grateful to Dr. Armand Béché and Dr. Lars Riekehr for their technical support and to Prof. Lukáš Palatinus, Dr. Stefano Canossa, Dr. Maria Batuk and Amirhossein Hajizadeh for fruitful discussions. |
Approved |
Most recent IF: 2.2; 2024 IF: 2.843 |
|
|
Call Number |
EMAT @ emat @c:irua:208540 |
Serial |
9268 |
|
Permanent link to this record |
|
|
|
|
Author |
Poppe, R.; Hadermann, J. |
|
|
Title |
Optimization of three-dimensional electron diffuse scattering data acquisition |
Type |
A1 Journal Article |
|
Year |
2024 |
Publication |
Ultramicroscopy |
Abbreviated Journal |
Ultramicroscopy |
|
|
Volume |
265 |
Issue |
|
Pages |
114023 |
|
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
|
Abstract |
The diffraction patterns of crystalline materials with local order contain sharp Bragg reflections as well as highly structured diffuse scattering. In this study, we quantitatively show how the diffuse scattering in three-dimensional electron diffraction (3D ED) data is influenced by various parameters, including the data acquisition mode, the detector type and the use of an energy filter. We found that diffuse scattering data used for quantitative analysis are preferably acquired in selected area electron diffraction (SAED) mode using a CCD and an energy filter. In this study, we also show that the diffuse scattering in 3D ED data can be obtained with a quality comparable to that from single-crystal X-ray diffraction. As electron diffraction requires much smaller crystal sizes than X-ray diffraction, this opens up the possibility to investigate the local structure of many technologically relevant materials for which no crystals large enough for single-crystal X-ray diffraction are available. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001294 |
Publication Date |
2024-08-03 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0304-3991 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
2.2 |
Times cited |
|
Open Access |
|
|
|
Notes |
The authors would like to thank Dr. Nikolaj Roth for fruitful discussions and Dr. Lukas Palatinus for providing an option to apply symmetry averaging in the three-dimensional reciprocal lattice in PETS2. The authors also acknowledge the Hercules fund ’Direct electron detector for soft matter TEM’ from Flemish Government for the purchase of the Merlin detector. |
Approved |
Most recent IF: 2.2; 2024 IF: 2.843 |
|
|
Call Number |
EMAT @ emat @c:irua:207457 |
Serial |
9271 |
|
Permanent link to this record |
|
|
|
|
Author |
De Dobbelaere, C.; Lourdes Calzada, M.; Bretos, I.; Jimenez, R.; Ricote, J.; Hadermann, J.; Hardy, A.; Van Bael, M.K. |
|
|
Title |
Gaining new insight into low-temperature aqueous photochemical solution deposited ferroelectric PbTiO3 films |
Type |
A1 Journal article |
|
Year |
2016 |
Publication |
Materials chemistry and physics |
Abbreviated Journal |
Mater Chem Phys |
|
|
Volume |
174 |
Issue |
|
Pages |
28-40 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The nature of the low-temperature photochemical assisted formation process of ferroelectric lead titanate (PbTiO3) films is studied in the present work. Films are obtained by the deposition of an aqueous solution containing citric acid based (citrato) metal ion complexes with intrinsic UV activity. This UV activity is crucial for the aqueous photochemical solution deposition (aqueous PCSD) route being used. UV irradiation enhances the early decomposition of organics and results in improved electrical properties for the crystalline oxide film, even if the film is crystallized at low temperature. GATR-FTIR shows that UV irradiation promotes the decomposition of organic precursor components, resulting in homogeneous films if applied in the right temperature window during film processing. The organic content, morphology and crystallinity of the irradiated films, achieved at different processing atmospheres and temperatures, is studied and eventually correlated to the functional behavior of the obtained films. This is an important issue, as crystalline films obtained at low temperatures often lack ferroelectric responses. In this work, the film prepared in pure oxygen at the very low temperature of 400 degrees C and after an optimized UV treatment presents a significant remanent polarization value of P-r = 8.8 mu C cm(-2). This value is attributed to the better crystallinity, the larger grain size and the reduced porosity obtained thanks to the early film crystallization effectively achieved through the UV treatment in oxygen. (C) 2016 Elsevier B.V. All rights reserved. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Lausanne |
Editor |
|
|
|
Language |
|
Wos |
000373865700005 |
Publication Date |
2016-03-16 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0254-0584 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.084 |
Times cited |
4 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.084 |
|
|
Call Number |
UA @ lucian @ c:irua:144729 |
Serial |
4659 |
|
Permanent link to this record |
|
|
|
|
Author |
Li, D.Y.; Zeng, Y.J.; Pereira, L.M.C.; Batuk, D.; Hadermann, J.; Zhang, Y.Z.; Ye, Z.Z.; Temst, K.; Vantomme, A.; Van Bael, M.J.; Van Haesendonck, C.; |
|
|
Title |
Anisotropic magnetism and spin-dependent transport in Co nanoparticle embedded ZnO thin films |
Type |
A1 Journal article |
|
Year |
2013 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
114 |
Issue |
3 |
Pages |
033909-6 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Oriented Co nanoparticles were obtained by Co ion implantation in crystalline ZnO thin films grown by pulsed laser deposition. Transmission electron microscopy revealed the presence of elliptically shaped Co precipitates with nanometer size, which are embedded in the ZnO thin films, resulting in anisotropic magnetic behavior. The low-temperature resistance of the Co-implanted ZnO thin films follows the Efros-Shklovskii type variable-range-hopping. Large negative magnetoresistance (MR) exceeding 10% is observed in a magnetic field of 1 T at 2.5K and the negative MR survives up to 250K (0.3%). The negative MR reveals hysteresis as well as anisotropy that correlate well with the magnetic properties, clearly demonstrating the presence of spin-dependent transport. (C) 2013 AIP Publishing LLC. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000322202700071 |
Publication Date |
2013-07-17 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-8979; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.068 |
Times cited |
10 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.068; 2013 IF: 2.185 |
|
|
Call Number |
UA @ lucian @ c:irua:110765 |
Serial |
126 |
|
Permanent link to this record |
|
|
|
|
Author |
Piorra, A.; Hrkac, V.; Wolff, N.; Zamponi, C.; Duppel, V.; Hadermann, J.; Kienle, L.; Quandt, E. |
|
|
Title |
(Ba0.85Ca0.15)(Ti0.9Zr0.1)O3 thin films prepared by PLD : relaxor properties and complex microstructure |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
|
|
Volume |
125 |
Issue |
24 |
Pages |
244103 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Ferroelectric lead-free thin films of the composition (Ba0.85Ca0.15)(Ti0.9Zr0.1)O-3 (BCZT) were deposited by pulsed laser deposition on Pt/TiO2/SiO2/Si substrates using a ceramic BCZT target prepared by a conventional solid state reaction. The target material itself shows a piezoelectric coefficient of d(33)=640pm/V. The (111) textured thin films possess a thickness of up to 1.1 mu m and exhibit a clamped piezoelectric response f of up to 190pm/V, a dielectric coefficient of (r)=2000 at room temperature, and a pronounced relaxor behavior. As indicated by transmission electron microscopy, the thin films are composed of longitudinal micrometersized columns with similar to 100nm lateral dimension that are separated at twin- and antiphase boundaries. The superposition phenomena according to this columnar growth were simulated based on suitable supercells. The major structural component is described as a tetragonal distorted variant of the perovskite parent type; however, frequently coherently intergrown nanodomains were observed indicating a much more complex structure that is characterized by a 7-layer modulation along the growth direction of the films. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000474439600002 |
Publication Date |
2019-06-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0021-8979; 1089-7550 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.068 |
Times cited |
|
Open Access |
|
|
|
Notes |
; The authors want to thank Dr. Martina Luysberg and Dr. Lothar Houben from the Ernst Ruska Centre in Julich for discussion and CS-corrected microscopy. Funding of this work via the DFG (No. CRC1261) “Magnetoelectric Sensors: From Composite Materials to Biomagnetic Diagnostics” and the PAK902 is gratefully acknowledged. ; |
Approved |
Most recent IF: 2.068 |
|
|
Call Number |
UA @ admin @ c:irua:161310 |
Serial |
5399 |
|
Permanent link to this record |
|
|
|
|
Author |
Gillie, L.J.; Palmer, H.M.; Wright, A.J.; Hadermann, J.; Van Tendeloo, G.; Greaves, C. |
|
|
Title |
Crystallographic and magnetic structures of Y0.8Sr2.2Mn2GaO8-\delta: a new vacancy-ordered perovskite structure |
Type |
A1 Journal article |
|
Year |
2004 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
|
|
Volume |
65 |
Issue |
|
Pages |
87-93 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
New York, N.Y. |
Editor |
|
|
|
Language |
|
Wos |
000188127400014 |
Publication Date |
2003-10-16 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3697; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.059 |
Times cited |
15 |
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 2.059; 2004 IF: 0.988 |
|
|
Call Number |
UA @ lucian @ c:irua:43875 |
Serial |
585 |
|
Permanent link to this record |
|
|
|
|
Author |
Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D. |
|
|
Title |
First-principles study of CO and OH adsorption on in-doped ZnO surfaces |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
The journal of physics and chemistry of solids |
Abbreviated Journal |
J Phys Chem Solids |
|
|
Volume |
132 |
Issue |
|
Pages |
172-181 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
|
|
Abstract |
We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to
the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of
the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy
of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher
bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting
in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic
and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic
response upon adsorption of CO. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000472124700023 |
Publication Date |
2019-04-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0022-3697 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.059 |
Times cited |
7 |
Open Access |
Not_Open_Access: Available from 26.04.2021
|
|
|
Notes |
FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI; |
Approved |
Most recent IF: 2.059 |
|
|
Call Number |
EMAT @ emat @UA @ admin @ c:irua:159656 |
Serial |
5170 |
|
Permanent link to this record |
|
|
|
|
Author |
Batuk, D.; Batuk, M.; Abakumov, A.M.; Hadermann, J. |
|
|
Title |
Synergy between transmission electron microscopy and powder diffraction : application to modulated structures |
Type |
A1 Journal article |
|
Year |
2015 |
Publication |
Acta crystallographica: section B: structural science |
Abbreviated Journal |
Acta Crystallogr B |
|
|
Volume |
71 |
Issue |
71 |
Pages |
127-143 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The crystal structure solution of modulated compounds is often very challenging, even using the well established methodology of single-crystal X-ray crystallography. This task becomes even more difficult for materials that cannot be prepared in a single-crystal form, so that only polycrystalline powders are available. This paper illustrates that the combined application of transmission electron microscopy (TEM) and powder diffraction is a possible solution to the problem. Using examples of anion-deficient perovskites modulated by periodic crystallographic shear planes, it is demonstrated what kind of local structural information can be obtained using various TEM techniques and how this information can be implemented in the crystal structure refinement against the powder diffraction data. The following TEM methods are discussed: electron diffraction (selected area electron diffraction, precession electron diffraction), imaging (conventional high-resolution TEM imaging, high-angle annular dark-field and annular bright-field scanning transmission electron microscopy) and state-of-the-art spectroscopic techniques (atomic resolution mapping using energy-dispersive X-ray analysis and electron energy loss spectroscopy). |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
Copenhagen |
Editor |
|
|
|
Language |
|
Wos |
000352166500002 |
Publication Date |
2015-04-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2052-5206; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.032 |
Times cited |
11 |
Open Access |
|
|
|
Notes |
Fwo G039211n |
Approved |
Most recent IF: 2.032; 2015 IF: NA |
|
|
Call Number |
c:irua:124411 |
Serial |
3408 |
|
Permanent link to this record |
|
|
|
|
Author |
Callaert, C.; Bercx, M.; Lamoen, D.; Hadermann, J. |
|
|
Title |
Interstitial defects in the van der Waals gap of Bi2Se3 |
Type |
A1 Journal article |
|
Year |
2019 |
Publication |
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) |
Abbreviated Journal |
Acta Crystallogr B |
|
|
Volume |
75 |
Issue |
4 |
Pages |
717-732 |
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Bi<sub>2</sub>Se<sub>3</sub>is a thermoelectric material and a topological insulator. It is slightly conducting in its bulk due to the presence of defects and by controlling the defects different physical properties can be fine tuned. However, studies of the defects in this material are often contradicting or inconclusive. Here, the defect structure of Bi<sub>2</sub>Se<sub>3</sub>is studied with a combination of techniques: high-resolution scanning transmission electron microscopy (HR-STEM), high-resolution energy-dispersive X-ray (HR-EDX) spectroscopy, precession electron diffraction tomography (PEDT), X-ray diffraction (XRD) and first-principles calculations using density functional theory (DFT). Based on these results, not only the observed defects are discussed, but also the discrepancies in results or possibilities across the techniques. STEM and EDX revealed interstitial defects with mainly Bi character in an octahedral coordination in the van der Waals gap, independent of the applied sample preparation method (focused ion beam milling or cryo-crushing). The inherent character of these defects is supported by their observation in the structure refinement of the EDT data. Moreover, the occupancy probability of the defects determined by EDT is inversely proportional to their corresponding DFT calculated formation energies. STEM also showed the migration of some atoms across and along the van der Waals gap. The kinetic barriers calculated using DFT suggest that some paths are possible at room temperature, while others are most probably beam induced. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000480512600024 |
Publication Date |
2019-08-01 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2052-5206 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
2.032 |
Times cited |
|
Open Access |
|
|
|
Notes |
University of Antwerp, 31445 ; Acknowledgements We thank Artem M. Abakumov for providing the original Bi2Se3 sample and are also very grateful to Christophe Vandevelde for trying repeatedly to get good single crystal X-ray diffraction data out of each of our failed attempts at making an undeformed single crystal. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government-department EWI. |
Approved |
Most recent IF: 2.032 |
|
|
Call Number |
EMAT @ emat @c:irua:161847 |
Serial |
5295 |
|
Permanent link to this record |
|
|
|
|
Author |
Missen, O.P.; Mills, S.J.; Canossa, S.; Hadermann, J.; Nenert, G.; Weil, M.; Libowitzky, E.; Housley, R.M.; Artner, W.; Kampf, A.R.; Rumsey, M.S.; Spratt, J.; Momma, K.; Dunstan, M.A. |
|
|
Title |
Polytypism in mcalpineite : a study of natural and synthetic Cu₃TeO₆ |
Type |
A1 Journal article |
|
Year |
2022 |
Publication |
Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) |
Abbreviated Journal |
Acta Crystallogr B |
|
|
Volume |
78 |
Issue |
1 |
Pages |
|
|
|
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Synthetic and naturally occurring forms of tricopper orthotellurate, (Cu3TeO6)-Te-II-O-IV (the mineral mcalpineite) have been investigated by 3D electron diffraction (3D ED), X-ray powder diffraction (XRPD), Raman and infrared (IR) spectroscopic measurements. As a result of the diffraction analyses, (Cu3TeO6)-Te-II-O-IV is shown to occur in two polytypes. The higher-symmetric (Cu3TeO6)-Te-II-O-IV-1C polytype is cubic, space group 1a (3) over bar, with a = 9.537 (1) angstrom and V = 867.4 (3) angstrom(3) as reported in previous studies. The 1C polytype is a well characterized structure consisting of alternating layers of (CuO6)-O-II octahedra and both (CuO6)-O-II and (TeO6)-O-VI octahedra in a patchwork arrangement. The structure of the lower-symmetric orthorhombic (Cu3TeO6)-Te-II-O-IV-2O polytype was determined for the first time in this study by 3D ED and verified by Rietveld refinement. The 2O polytype crystallizes in space group Pcca, with a = 9.745 (3) angstrom, b = 9.749 (2) angstrom, c = 9.771 (2) angstrom and V = 928.3 (4) angstrom(3) . High-precision XRPD data were also collected on (Cu3TeO6)-Te-II-O-IV-2O to verify the lower-symmetric structure by performing a Rietveld refinement. The resultant structure is identical to that determined by 3D ED, with unit-cell parameters a = 9.56157 (19) angstrom, b = 9.55853 (11) angstrom, c = 9.62891 (15) angstrom and V = 880.03 (2) angstrom(3) . The lower symmetry of the 2O polytype is a consequence of a different cation ordering arrangement, which involves the movement of every second (CuO6)-O-II and (TeO6)-O-VI octahedral layer by (1/4, 1/4, 0), leading to an offset of (TeO6)-O-VI and (CuO6)-O-II octahedra in every second layer giving an ABAB* stacking arrangement. Syntheses of (Cu3TeO6)-Te-II-O-IV showed that low-temperature (473 K) hydrothermal conditions generally produce the 2O polytype. XRPD measurements in combination with Raman spectroscopic analysis showed that most natural mcalpineite is the orthorhombic 2O polytype. Both XRPD and Raman spectroscopy measurements may be used to differentiate between the two polytypes of (Cu3TeO6)-Te-II-O-IV. In Raman spectroscopy, (Cu3TeO6)-Te-II-O-IV-1C has a single strong band around 730 cm(-1), whereas (Cu3TeO6)-Te-II-O-IV-2O shows a broad double maximum with bands centred around 692 and 742 cm(-1). |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
000752899700003 |
Publication Date |
2022-01-18 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2052-5206 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
|
|
Impact Factor |
1.9 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
|
Approved |
Most recent IF: 1.9 |
|
|
Call Number |
UA @ admin @ c:irua:186529 |
Serial |
6962 |
|
Permanent link to this record |