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Title: Materials Data on CsAgPSe3 by Materials Project

Abstract

CsAgPSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.79–4.18 Å. Ag1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.59–2.66 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted L-shaped geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-865980
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; CsAgPSe3; Ag-Cs-P-Se
OSTI Identifier:
1311151
DOI:
https://doi.org/10.17188/1311151

Citation Formats

The Materials Project. Materials Data on CsAgPSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311151.
The Materials Project. Materials Data on CsAgPSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1311151
The Materials Project. 2020. "Materials Data on CsAgPSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1311151. https://www.osti.gov/servlets/purl/1311151. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1311151,
title = {Materials Data on CsAgPSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAgPSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.79–4.18 Å. Ag1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.59–2.66 Å. P4+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of P–Se bond distances ranging from 2.20–2.23 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted L-shaped geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to three equivalent Cs1+, one Ag1+, and one P4+ atom.},
doi = {10.17188/1311151},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}