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Title: Materials Data on CsAuSe3 by Materials Project

Abstract

CsAuSe3 crystallizes in the monoclinic C2/c 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 3.66–4.04 Å. Au5+ is bonded in a distorted linear geometry to two equivalent Se2- atoms. Both Au–Se bond lengths are 2.45 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs1+, one Au5+, and one Se2- atom. The Se–Se bond length is 2.43 Å. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Se2- atoms.

Publication Date:
Other Number(s):
mp-567913
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; CsAuSe3; Au-Cs-Se
OSTI Identifier:
1274123
DOI:
10.17188/1274123

Citation Formats

The Materials Project. Materials Data on CsAuSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274123.
The Materials Project. Materials Data on CsAuSe3 by Materials Project. United States. doi:10.17188/1274123.
The Materials Project. 2020. "Materials Data on CsAuSe3 by Materials Project". United States. doi:10.17188/1274123. https://www.osti.gov/servlets/purl/1274123. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274123,
title = {Materials Data on CsAuSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAuSe3 crystallizes in the monoclinic C2/c 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 3.66–4.04 Å. Au5+ is bonded in a distorted linear geometry to two equivalent Se2- atoms. Both Au–Se bond lengths are 2.45 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Cs1+, one Au5+, and one Se2- atom. The Se–Se bond length is 2.43 Å. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Se2- atoms.},
doi = {10.17188/1274123},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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