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Title: Materials Data on CsVTeO6 by Materials Project

Abstract

CsVTeO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form distorted CsO6 octahedra that share corners with six equivalent VO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 66–74°. There are a spread of Cs–O bond distances ranging from 3.07–3.26 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra, corners with four equivalent TeO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 32–74°. There is two shorter (1.85 Å) and four longer (1.92 Å) V–O bond length. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent VO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 42–71°. There is four shorter (1.93 Å) and two longer (1.98 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Te6+ atoms. In the second O2- site, O2- ismore » bonded in a bent 150 degrees geometry to one Cs1+ and two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one V5+, and one Te6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1225864
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsVTeO6; Cs-O-Te-V
OSTI Identifier:
1685165
DOI:
https://doi.org/10.17188/1685165

Citation Formats

The Materials Project. Materials Data on CsVTeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685165.
The Materials Project. Materials Data on CsVTeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1685165
The Materials Project. 2020. "Materials Data on CsVTeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1685165. https://www.osti.gov/servlets/purl/1685165. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1685165,
title = {Materials Data on CsVTeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {CsVTeO6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six O2- atoms to form distorted CsO6 octahedra that share corners with six equivalent VO6 octahedra and corners with six equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 66–74°. There are a spread of Cs–O bond distances ranging from 3.07–3.26 Å. V5+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra, corners with four equivalent TeO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 32–74°. There is two shorter (1.85 Å) and four longer (1.92 Å) V–O bond length. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two equivalent TeO6 octahedra, corners with four equivalent VO6 octahedra, and corners with six equivalent CsO6 octahedra. The corner-sharing octahedra tilt angles range from 42–71°. There is four shorter (1.93 Å) and two longer (1.98 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Cs1+ and two equivalent V5+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cs1+, one V5+, and one Te6+ atom.},
doi = {10.17188/1685165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}