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Title: Materials Data on Cs3BAs2 by Materials Project

Abstract

Cs3BAs2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Cs3BAs2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to two equivalent As3- atoms. There are one shorter (3.70 Å) and one longer (4.00 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are two shorter (3.84 Å) and two longer (3.86 Å) Cs–As bond lengths. B3+ is bonded in a linear geometry to two equivalent As3- atoms. Both B–As bond lengths are 1.89 Å. As3- is bonded in a 1-coordinate geometry to four Cs1+ and one B3+ atom.

Publication Date:
Other Number(s):
mp-573658
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; Cs3BAs2; As-B-Cs
OSTI Identifier:
1276515
DOI:
10.17188/1276515

Citation Formats

The Materials Project. Materials Data on Cs3BAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276515.
The Materials Project. Materials Data on Cs3BAs2 by Materials Project. United States. doi:10.17188/1276515.
The Materials Project. 2020. "Materials Data on Cs3BAs2 by Materials Project". United States. doi:10.17188/1276515. https://www.osti.gov/servlets/purl/1276515. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1276515,
title = {Materials Data on Cs3BAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3BAs2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Cs3BAs2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to two equivalent As3- atoms. There are one shorter (3.70 Å) and one longer (4.00 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are two shorter (3.84 Å) and two longer (3.86 Å) Cs–As bond lengths. B3+ is bonded in a linear geometry to two equivalent As3- atoms. Both B–As bond lengths are 1.89 Å. As3- is bonded in a 1-coordinate geometry to four Cs1+ and one B3+ atom.},
doi = {10.17188/1276515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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