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Title: Materials Data on CrAs by Materials Project

Abstract

CrAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent As3- atoms to form a mixture of corner, edge, and face-sharing CrAs6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cr–As bond lengths are 2.53 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Cr3+ atoms.

Publication Date:
Other Number(s):
mp-568565
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; CrAs; As-Cr
OSTI Identifier:
1274523
DOI:
10.17188/1274523

Citation Formats

The Materials Project. Materials Data on CrAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274523.
The Materials Project. Materials Data on CrAs by Materials Project. United States. doi:10.17188/1274523.
The Materials Project. 2020. "Materials Data on CrAs by Materials Project". United States. doi:10.17188/1274523. https://www.osti.gov/servlets/purl/1274523. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274523,
title = {Materials Data on CrAs by Materials Project},
author = {The Materials Project},
abstractNote = {CrAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent As3- atoms to form a mixture of corner, edge, and face-sharing CrAs6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cr–As bond lengths are 2.53 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Cr3+ atoms.},
doi = {10.17188/1274523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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