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Title: Materials Data on Cs2Se by Materials Project

Abstract

Cs2Se is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.71–4.24 Å. In the second Cs1+ site, Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CsSe4 tetrahedra. There are a spread of Cs–Se bond distances ranging from 3.59–3.64 Å. Se2- is bonded in a 9-coordinate geometry to nine Cs1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1011696
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; Cs2Se; Cs-Se
OSTI Identifier:
1327939
DOI:
https://doi.org/10.17188/1327939

Citation Formats

The Materials Project. Materials Data on Cs2Se by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1327939.
The Materials Project. Materials Data on Cs2Se by Materials Project. United States. doi:https://doi.org/10.17188/1327939
The Materials Project. 2020. "Materials Data on Cs2Se by Materials Project". United States. doi:https://doi.org/10.17188/1327939. https://www.osti.gov/servlets/purl/1327939. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1327939,
title = {Materials Data on Cs2Se by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Se is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 5-coordinate geometry to five equivalent Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.71–4.24 Å. In the second Cs1+ site, Cs1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CsSe4 tetrahedra. There are a spread of Cs–Se bond distances ranging from 3.59–3.64 Å. Se2- is bonded in a 9-coordinate geometry to nine Cs1+ atoms.},
doi = {10.17188/1327939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}