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Crystal Structure of the Disordered Non-Centrosymmetric Compound Fe0.43Mo2.56SbO9.5
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). University of Kalyani, India.
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK).
Number of Authors: 32019 (English)In: Crystals, ISSN 2073-4352, Vol. 9, no 1, article id 40Article in journal (Refereed) Published
Abstract [en]

Single crystals of Fe0.43Mo2.56SbO9.5 were obtained by hydrothermal techniques at 230 degrees 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) angstrom, b = 7.3355(3) angstrom, c = 12.6985(6) angstrom, = 90 degrees. 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)O-6] 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)O-6 octahedra are connected to form a pseudohexagonal channel. The Sb3+ atom is displaced from the pseudo-six-fold axis.

Place, publisher, year, edition, pages
2019. Vol. 9, no 1, article id 40
Keywords [en]
hydrothermal synthesis, non-centrosymmetric (NCS) materials, X-ray diffraction, disordered structure
National Category
Chemical Sciences Materials Engineering
Identifiers
URN: urn:nbn:se:su:diva-167701DOI: 10.3390/cryst9010040ISI: 000458578100040OAI: oai:DiVA.org:su-167701DiVA, id: diva2:1301328
Available from: 2019-04-01 Created: 2019-04-01 Last updated: 2019-04-01Bibliographically approved

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