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Title: Materials Data on VMoAs2 by Materials Project

Abstract

VMoAs2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. V4+ is bonded to six As3- atoms to form distorted VAs6 pentagonal pyramids that share corners with four equivalent VAs6 pentagonal pyramids, corners with eight equivalent MoAs6 pentagonal pyramids, edges with two equivalent VAs6 pentagonal pyramids, edges with four equivalent MoAs6 pentagonal pyramids, and faces with two equivalent VAs6 pentagonal pyramids. There are a spread of V–As bond distances ranging from 2.45–2.64 Å. Mo2+ is bonded to six As3- atoms to form distorted MoAs6 pentagonal pyramids that share corners with four equivalent MoAs6 pentagonal pyramids, corners with eight equivalent VAs6 pentagonal pyramids, edges with two equivalent MoAs6 pentagonal pyramids, edges with four equivalent VAs6 pentagonal pyramids, and faces with two equivalent MoAs6 pentagonal pyramids. There are a spread of Mo–As bond distances ranging from 2.52–2.74 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent V4+ and two equivalent Mo2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to two equivalent V4+ and four equivalent Mo2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1216310
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; VMoAs2; As-Mo-V
OSTI Identifier:
1689016
DOI:
https://doi.org/10.17188/1689016

Citation Formats

The Materials Project. Materials Data on VMoAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689016.
The Materials Project. Materials Data on VMoAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1689016
The Materials Project. 2020. "Materials Data on VMoAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1689016. https://www.osti.gov/servlets/purl/1689016. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1689016,
title = {Materials Data on VMoAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {VMoAs2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. V4+ is bonded to six As3- atoms to form distorted VAs6 pentagonal pyramids that share corners with four equivalent VAs6 pentagonal pyramids, corners with eight equivalent MoAs6 pentagonal pyramids, edges with two equivalent VAs6 pentagonal pyramids, edges with four equivalent MoAs6 pentagonal pyramids, and faces with two equivalent VAs6 pentagonal pyramids. There are a spread of V–As bond distances ranging from 2.45–2.64 Å. Mo2+ is bonded to six As3- atoms to form distorted MoAs6 pentagonal pyramids that share corners with four equivalent MoAs6 pentagonal pyramids, corners with eight equivalent VAs6 pentagonal pyramids, edges with two equivalent MoAs6 pentagonal pyramids, edges with four equivalent VAs6 pentagonal pyramids, and faces with two equivalent MoAs6 pentagonal pyramids. There are a spread of Mo–As bond distances ranging from 2.52–2.74 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent V4+ and two equivalent Mo2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to two equivalent V4+ and four equivalent Mo2+ atoms.},
doi = {10.17188/1689016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}