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Title: Materials Data on CaAs by Materials Project

Abstract

CaAs crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two CaAs sheets oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 5-coordinate geometry to five equivalent As2- atoms. There are a spread of Ca–As bond distances ranging from 2.92–3.17 Å. As2- is bonded in a 6-coordinate geometry to five equivalent Ca2+ and one As2- atom. The As–As bond length is 2.57 Å.

Publication Date:
Other Number(s):
mp-1188146
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; CaAs; As-Ca
OSTI Identifier:
1743997
DOI:
https://doi.org/10.17188/1743997

Citation Formats

The Materials Project. Materials Data on CaAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743997.
The Materials Project. Materials Data on CaAs by Materials Project. United States. doi:https://doi.org/10.17188/1743997
The Materials Project. 2020. "Materials Data on CaAs by Materials Project". United States. doi:https://doi.org/10.17188/1743997. https://www.osti.gov/servlets/purl/1743997. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1743997,
title = {Materials Data on CaAs by Materials Project},
author = {The Materials Project},
abstractNote = {CaAs crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two CaAs sheets oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 5-coordinate geometry to five equivalent As2- atoms. There are a spread of Ca–As bond distances ranging from 2.92–3.17 Å. As2- is bonded in a 6-coordinate geometry to five equivalent Ca2+ and one As2- atom. The As–As bond length is 2.57 Å.},
doi = {10.17188/1743997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}