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Title: Materials Data on V2CrTe4 by Materials Project

Abstract

V2CrTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V+2.50+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with six equivalent CrTe6 octahedra, edges with six equivalent VTe6 octahedra, and a faceface with one CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of V–Te bond distances ranging from 2.70–2.88 Å. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent VTe6 octahedra, edges with two equivalent CrTe6 octahedra, and faces with two equivalent VTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.77 Å) and four longer (2.83 Å) Cr–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent V+2.50+ and two equivalent Cr3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent V+2.50+ and one Cr3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1025278
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; V2CrTe4; Cr-Te-V
OSTI Identifier:
1355615
DOI:
https://doi.org/10.17188/1355615

Citation Formats

The Materials Project. Materials Data on V2CrTe4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355615.
The Materials Project. Materials Data on V2CrTe4 by Materials Project. United States. doi:https://doi.org/10.17188/1355615
The Materials Project. 2020. "Materials Data on V2CrTe4 by Materials Project". United States. doi:https://doi.org/10.17188/1355615. https://www.osti.gov/servlets/purl/1355615. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1355615,
title = {Materials Data on V2CrTe4 by Materials Project},
author = {The Materials Project},
abstractNote = {V2CrTe4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V+2.50+ is bonded to six Te2- atoms to form VTe6 octahedra that share corners with six equivalent CrTe6 octahedra, edges with six equivalent VTe6 octahedra, and a faceface with one CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of V–Te bond distances ranging from 2.70–2.88 Å. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share corners with twelve equivalent VTe6 octahedra, edges with two equivalent CrTe6 octahedra, and faces with two equivalent VTe6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are two shorter (2.77 Å) and four longer (2.83 Å) Cr–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent V+2.50+ and two equivalent Cr3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three equivalent V+2.50+ and one Cr3+ atom.},
doi = {10.17188/1355615},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}