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Title: Materials Data on Cr5As3 by Materials Project

Abstract

Cr5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Cr–As bond distances ranging from 2.40–2.67 Å. In the second Cr site, Cr is bonded in a 6-coordinate geometry to six As atoms. There are a spread of Cr–As bond distances ranging from 2.47–2.65 Å. In the third Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Cr–As bond distances ranging from 2.44–2.52 Å. In the fourth Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Cr–As bond distances ranging from 2.44–2.72 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight Cr atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Cr atoms.

Authors:
Publication Date:
Other Number(s):
mp-505539
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; Cr5As3; As-Cr
OSTI Identifier:
1262577
DOI:
https://doi.org/10.17188/1262577

Citation Formats

The Materials Project. Materials Data on Cr5As3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262577.
The Materials Project. Materials Data on Cr5As3 by Materials Project. United States. doi:https://doi.org/10.17188/1262577
The Materials Project. 2020. "Materials Data on Cr5As3 by Materials Project". United States. doi:https://doi.org/10.17188/1262577. https://www.osti.gov/servlets/purl/1262577. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1262577,
title = {Materials Data on Cr5As3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Cr–As bond distances ranging from 2.40–2.67 Å. In the second Cr site, Cr is bonded in a 6-coordinate geometry to six As atoms. There are a spread of Cr–As bond distances ranging from 2.47–2.65 Å. In the third Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Cr–As bond distances ranging from 2.44–2.52 Å. In the fourth Cr site, Cr is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Cr–As bond distances ranging from 2.44–2.72 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight Cr atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Cr atoms.},
doi = {10.17188/1262577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}