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Title: Materials Data on Mg2VSbO6 by Materials Project

Abstract

Mg2VSbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.72 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.01–2.70 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–44°. There are a spread of V–O bond distances ranging from 2.02–2.10 Å. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are four shorter (1.98 Å) and two longer (2.08 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+, one V5+, and one Sb3+ atom. In themore » second O2- site, O2- is bonded in a 3-coordinate geometry to three Mg2+, one V5+, and one Sb3+ atom. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Sb3+ atoms to form distorted OMg2Sb2 tetrahedra that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2V2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Mg2+ and two equivalent V5+ atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2V2 trigonal pyramids.« less

Publication Date:
Other Number(s):
mvc-14653
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg2VSbO6; Mg-O-Sb-V
OSTI Identifier:
1319271
DOI:
10.17188/1319271

Citation Formats

The Materials Project. Materials Data on Mg2VSbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319271.
The Materials Project. Materials Data on Mg2VSbO6 by Materials Project. United States. doi:10.17188/1319271.
The Materials Project. 2020. "Materials Data on Mg2VSbO6 by Materials Project". United States. doi:10.17188/1319271. https://www.osti.gov/servlets/purl/1319271. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1319271,
title = {Materials Data on Mg2VSbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2VSbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.72 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.01–2.70 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 41–44°. There are a spread of V–O bond distances ranging from 2.02–2.10 Å. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 43–47°. There are four shorter (1.98 Å) and two longer (2.08 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mg2+, one V5+, and one Sb3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Mg2+, one V5+, and one Sb3+ atom. In the third O2- site, O2- is bonded to two Mg2+ and two equivalent Sb3+ atoms to form distorted OMg2Sb2 tetrahedra that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2V2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two Mg2+ and two equivalent V5+ atoms to form distorted OMg2V2 trigonal pyramids that share corners with two equivalent OMg2Sb2 tetrahedra and corners with two equivalent OMg2V2 trigonal pyramids.},
doi = {10.17188/1319271},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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