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Title: Materials Data on CsAsSe2 by Materials Project

Abstract

CsAsSe2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.80–4.14 Å. As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.35 Å) and two longer (2.49 Å) As–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent As3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to five equivalent Cs1+ and one As3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-28563
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; CsAsSe2; As-Cs-Se
OSTI Identifier:
1202664
DOI:
https://doi.org/10.17188/1202664

Citation Formats

The Materials Project. Materials Data on CsAsSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202664.
The Materials Project. Materials Data on CsAsSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1202664
The Materials Project. 2020. "Materials Data on CsAsSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1202664. https://www.osti.gov/servlets/purl/1202664. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1202664,
title = {Materials Data on CsAsSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAsSe2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.80–4.14 Å. As3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.35 Å) and two longer (2.49 Å) As–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent As3+ atoms. In the second Se2- site, Se2- is bonded in a 1-coordinate geometry to five equivalent Cs1+ and one As3+ atom.},
doi = {10.17188/1202664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}