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Title: Materials Data on Cr2As by Materials Project

Abstract

Cr2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded to five equivalent As atoms to form a mixture of distorted edge and corner-sharing CrAs5 square pyramids. There are one shorter (2.44 Å) and four longer (2.54 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to four equivalent As atoms. All Cr–As bond lengths are 2.51 Å. As is bonded in a 9-coordinate geometry to nine Cr atoms.

Authors:
Publication Date:
Other Number(s):
mp-20552
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; Cr2As; As-Cr
OSTI Identifier:
1195683
DOI:
https://doi.org/10.17188/1195683

Citation Formats

The Materials Project. Materials Data on Cr2As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195683.
The Materials Project. Materials Data on Cr2As by Materials Project. United States. doi:https://doi.org/10.17188/1195683
The Materials Project. 2020. "Materials Data on Cr2As by Materials Project". United States. doi:https://doi.org/10.17188/1195683. https://www.osti.gov/servlets/purl/1195683. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195683,
title = {Materials Data on Cr2As by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded to five equivalent As atoms to form a mixture of distorted edge and corner-sharing CrAs5 square pyramids. There are one shorter (2.44 Å) and four longer (2.54 Å) Cr–As bond lengths. In the second Cr site, Cr is bonded in a 12-coordinate geometry to four equivalent As atoms. All Cr–As bond lengths are 2.51 Å. As is bonded in a 9-coordinate geometry to nine Cr atoms.},
doi = {10.17188/1195683},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}