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Title: Materials Data on GaAg(PSe3)2 by Materials Project

Abstract

AgGa(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgGa(PSe3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent GaSe6 octahedra. All Ag–Se bond lengths are 2.90 Å. Ga3+ is bonded to six equivalent Se2- atoms to form GaSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Ga–Se bond lengths are 2.65 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.23 Å. Se2- is bonded in a 3-coordinate geometry to one Ag1+, one Ga3+, and one P4+ atom.

Publication Date:
Other Number(s):
mp-7008
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; GaAg(PSe3)2; Ag-Ga-P-Se
OSTI Identifier:
1285578
DOI:
https://doi.org/10.17188/1285578

Citation Formats

The Materials Project. Materials Data on GaAg(PSe3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285578.
The Materials Project. Materials Data on GaAg(PSe3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1285578
The Materials Project. 2020. "Materials Data on GaAg(PSe3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1285578. https://www.osti.gov/servlets/purl/1285578. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1285578,
title = {Materials Data on GaAg(PSe3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgGa(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgGa(PSe3)2 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent Se2- atoms to form AgSe6 octahedra that share edges with three equivalent GaSe6 octahedra. All Ag–Se bond lengths are 2.90 Å. Ga3+ is bonded to six equivalent Se2- atoms to form GaSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All Ga–Se bond lengths are 2.65 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.23 Å. Se2- is bonded in a 3-coordinate geometry to one Ag1+, one Ga3+, and one P4+ atom.},
doi = {10.17188/1285578},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}