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Title: Materials Data on Cs2Se by Materials Project

Abstract

Cs2Se crystallizes in the orthorhombic P222_1 space group. The structure is two-dimensional and consists of one Cs2Se sheet oriented in the (0, 1, 0) direction. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (3.55 Å) and two longer (3.64 Å) Cs–Se bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted L-shaped geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.65 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted L-shaped geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.67 Å. Se2- is bonded in a 5-coordinate geometry to five Cs1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1011730
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:
1327943
DOI:
https://doi.org/10.17188/1327943

Citation Formats

The Materials Project. Materials Data on Cs2Se by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1327943.
The Materials Project. Materials Data on Cs2Se by Materials Project. United States. doi:https://doi.org/10.17188/1327943
The Materials Project. 2020. "Materials Data on Cs2Se by Materials Project". United States. doi:https://doi.org/10.17188/1327943. https://www.osti.gov/servlets/purl/1327943. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1327943,
title = {Materials Data on Cs2Se by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Se crystallizes in the orthorhombic P222_1 space group. The structure is two-dimensional and consists of one Cs2Se sheet oriented in the (0, 1, 0) direction. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (3.55 Å) and two longer (3.64 Å) Cs–Se bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted L-shaped geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.65 Å. In the third Cs1+ site, Cs1+ is bonded in a distorted L-shaped geometry to two equivalent Se2- atoms. Both Cs–Se bond lengths are 3.67 Å. Se2- is bonded in a 5-coordinate geometry to five Cs1+ atoms.},
doi = {10.17188/1327943},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}