Crystal Structure of the Disordered Non-Centrosymmetric Compound Fe0.43Mo2.56SbO9.5
Source abstract
Abstract
Single crystals of Fe0.43Mo2.56SbO9.5 were obtained by hydrothermal techniques at 230 °C. The crystal structure was determined from single crystal X-ray diffraction data. The compound crystallizes in the non-centrosymmetric space group Pc with unit cell parameters a = 4.0003(2) Å, b = 7.3355(3) Å, c = 12.6985(6) Å, β = 90°. The crystal structure comprises five crystallographically independent M atoms and one Sb3+ atom, M atoms are of two kinds of partially occupied sites Mo6+ and Fe3+. The building blocks consist of [SbO3O0.5O0.5E] octahedra (E = lone electron pair) and [(Mo/Fe)O6] octahedra. The M = (Mo, Fe) and O atoms are arranged in a distorted hexagonal 2D-net, not the Sb atoms. The distortion of the net and consequently the symmetry reduction results mainly from the location of the Sb atoms. Disorder manifests itself as a splitting of the metal sites and as a consequent shortening of the Mo–Fe distances. Six (Mo/Fe)O6 octahedra are connected to form a pseudohexagonal channel. The Sb3+ atom is displaced from the pseudo-six-fold axis.
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Crystal Structures and Properties · Advanced Condensed Matter Physics · Catalysis and Oxidation Reactions
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden
Department of Chemistry, University of Kalyani, Kalyani, Nadia, West Bengal-741235, India
Division of Polymer and Materials Chemistry, CAS, Lund University, 22241 Lund, Sweden
Funding
Stiftelsen Olle Engkvist Byggmästare
References (32)
Show source-provided references
1. Acentric Pseudo-Kagome Structures: The Solid Solution (Co1−xNix)3Sb4O6F610.1021/cm500339z ↗
2. M4Mg4(P2O7)3 (M = K, Rb): Structural Engineering of Pyrophosphates for Nonlinear Optical Applications10.1021/acs.chemmater.7b00167 ↗
3. Large Birefringent Materials, Na6Te4W6O29 and Na2TeW2O9: Synthesis, Structure, Crystal Growth, and Characterization10.1021/acs.cgd.5b01649 ↗
4. Top-seeded solution crystal growth of noncentrosymmetric and polar Zn2TeMoO7 (ZTM)10.1016/j.jssc.2015.08.044 ↗
5. Single crystal magnetic structure and susceptibility of CoSe2O10.1016/j.jssc.2015.09.006 ↗
6. Synthesis, Structure, and Characterization of New Li+—d0—Lone-Pair—Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6 and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+ or W6+)10.1021/ic301334c ↗
7. Zn3Sb4O6F6: Hydrothermal synthesis, crystal structure and nonlinear optical properties10.1016/j.jssc.2017.08.033 ↗
8. Crystal Structure and Magnetic Properties of FeTe2O5X (X = Cl, Br)10.1021/ja064738d ↗
9. Transition—Metal Tetrafluoride Oxide-Antimony Pentafluoride Adducts; Preparation and Characterization of the Adducts MF40.SbF5 (M = Mo, W, or Re) and Crystal Structures of MoF4O·SbF5 and ReF4O·SbF5
10. NdBaScO4: Aristotype of a new family of geometric ferroelectrics?10.1039/C6CC05940F ↗
11. Structural and magnetic characterisation of CoSb2O4, and the substitution of Pb2+ for Sb3+10.1016/j.jssc.2012.01.032 ↗
12. Spin glass transitions in the absence of chemical disorder fort hepyrochlores A2Sb2O7 (A = Mn, Co, Ni)10.1016/j.jssc.2010.01.025 ↗
13. Mixed oxides of sodium, antimony (5+) and divalent metals (Ni, Co, Zn or Mg)10.1016/j.jssc.2009.12.002 ↗
14. Structures isomorphes MeX2O4- Evolution structurale entre 2 K et 300 K de I’antimonite FeSb204: Elasticit et ordremagnktique Anisotropies10.1016/0022-4596(85)90166-5 ↗
15. Facile Hydrothermal Synthesis and First Principle Computational Studies of NiSb2O4 and Its Electrochemical Properties with Ni3(Fe(CN)6)2(H2O) for Hybrid Supercapacitors10.1002/slct.201700893 ↗
16. Les antimonites antiferromagnetiques MnSb2O4 et NiSb2O410.1016/0022-4596(83)90211-6 ↗
17. Properties of Sb-compounds with Rutile-like structures10.3891/acta.chem.scand.29a-0803 ↗
18. Crystal Structure and Magnetism in CoSb2O6 and CoTa2O610.1016/0022-4596(89)90049-2 ↗
19. Neutron diffraction study of the magnetic and structure properties of Co2.50Sb0.50O4 spinel10.1016/S0304-8853(00)00234-1 ↗
20. Hydrothermal Synthesis and Magnetic Characterization of the Quaternary Oxide CoMo2Sb2O1010.1021/acs.inorgchem.6b02031 ↗
21. Synthesis, Structure, and Physical Properties of Cobalt Perovskites: Sr3CoSb2O9 and Sr2CoSbO6−δ10.1006/jssc.2000.9041 ↗
22. Synthesis and characterization of novel 6-H perovskites Ba2Co2−xSbxO6−y, 0.6 ≤ x ≤ 0.8 and x = 1.33 (Ba3CoSb2O9)
23. The synthesis, structure, magnetic and electrical properties of FeSb2−xPbxO410.1039/c1jm12645h ↗
24. Brookes, C., Bowker, M., and Wells, P.P. (2016). Catalysts for the Selective Oxidation of Methanol. Catalysts, 6.10.3390/catal6070092 ↗
25. The Nature of the Molybdenum Surface in Iron Molybdate. The Active Phase in Selective Methanol Oxidation10.1021/jp5081753 ↗
26. Oxford Diffraction (2008). CrysAlis CCD and CrysAlis RED, Oxford Diffraction Ltd.
27. Sheldrick, G.M. (2008). SADABS, Version 2008/1, Bruker AXS Inc.
28. SUPERFLIP—A computer program for the solution of crystal structures by charge flipping in arbitrary dimensions10.1107/S0021889807029238 ↗
29. Crystallographic Computing System JANA2006: General features10.1515/zkri-2014-1737 ↗
30. Refinement of the Crystal Structure of Cubic Antimony Trioxide, Sb2O310.1107/S0567740875006759 ↗
31. Antimony oxofluorides—A synthesis concept that yields phase pure samples and single crystals10.1039/C6DT01897A ↗
32. Brown, I.D. (2002). Chemical Bond in Inorganic Chemistry, Oxford University Press.