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Crystals 2019, 9(1), 40; https://doi.org/10.3390/cryst9010040

Crystal Structure of the Disordered Non-Centrosymmetric Compound Fe0.43Mo2.56SbO9.5

1
Department of Materials and Environmental Chemistry, Stockholm University, SE-106 91 Stockholm, Sweden
2
Department of Chemistry, University of Kalyani, Kalyani, Nadia, West Bengal-741235, India
3
Division of Polymer and Materials Chemistry, CAS, Lund University, 22241 Lund, Sweden
*
Authors to whom correspondence should be addressed.
Received: 11 December 2018 / Revised: 8 January 2019 / Accepted: 10 January 2019 / Published: 15 January 2019
(This article belongs to the Section Crystalline Materials)
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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. View Full-Text
Keywords: hydrothermal synthesis; non-centrosymmetric (NCS) materials; X-ray diffraction; disordered structure hydrothermal synthesis; non-centrosymmetric (NCS) materials; X-ray diffraction; disordered structure
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Ali, S.I.; Lidin, S.; Johnsson, M. Crystal Structure of the Disordered Non-Centrosymmetric Compound Fe0.43Mo2.56SbO9.5. Crystals 2019, 9, 40.

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