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Title: Materials Data on Ca3AsBr3 by Materials Project

Abstract

Ca3AsBr3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent As3- and four equivalent Br1- atoms to form a mixture of edge and corner-sharing CaAs2Br4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ca–As bond lengths are 2.98 Å. All Ca–Br bond lengths are 2.98 Å. As3- is bonded to six equivalent Ca2+ atoms to form corner-sharing AsCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms.

Publication Date:
Other Number(s):
mp-27294
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; Ca3AsBr3; As-Br-Ca
OSTI Identifier:
1201492
DOI:
https://doi.org/10.17188/1201492

Citation Formats

The Materials Project. Materials Data on Ca3AsBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201492.
The Materials Project. Materials Data on Ca3AsBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1201492
The Materials Project. 2020. "Materials Data on Ca3AsBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1201492. https://www.osti.gov/servlets/purl/1201492. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1201492,
title = {Materials Data on Ca3AsBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3AsBr3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to two equivalent As3- and four equivalent Br1- atoms to form a mixture of edge and corner-sharing CaAs2Br4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Ca–As bond lengths are 2.98 Å. All Ca–Br bond lengths are 2.98 Å. As3- is bonded to six equivalent Ca2+ atoms to form corner-sharing AsCa6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded in a square co-planar geometry to four equivalent Ca2+ atoms.},
doi = {10.17188/1201492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}