Crystal structure of the alluaudite Ag2Mn3(VO4)3

Author:

Yahia Hamdi Ben1,Shikano Masahiro2,Essehli Rachid1,Belharouak Ilias1

Affiliation:

1. Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University, Qatar Foundation, P.O. Box 5825 Doha, Qatar

2. Research Institute of Electrochemical Energy, National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31, Midorigaoka, Ikeda, Osaka 563-8577, Japan

Abstract

Abstract The new compound Ag2Mn3(VO4)3 was synthesized by hydrothermal and solid state reaction routes, and its crystal structure was determined from single-crystal X-ray diffraction data. Ag2Mn3(VO4)3 crystallizes with a monoclinic symmetry, space group C2/c, with a=11.8968(11) Å, b=13.2057(13) Å, c=6.8132(7) Å, β=111.3166(15) (°) and V=997.16(17) Å3 (Z=4). Its crystal refinement yielded the residual factors R(F)=0.0249 and wR(F 2)=0.0704 for 95 parameters and 1029 independent reflections at a 3σ(I) level. Ag2Mn3(VO4)3 can be considered as a new member of the AAMM2(XO4)3 alluaudite family. The specific arrangement of M and M′ octahedral sites and of X tetrahedral sites gives rise to two different channels aligned along the crystallographic c-axis and containing the A and A′ sites. The A, A′, M, and X sites are fully occupied by Ag+, Mn2+, and V5+, respectively; whereas a Mn2+/Mn3+ mixture is observed in the M′ site.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

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