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

Abstract

AgIn(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgIn(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 InSe6 octahedra. All Ag–Se bond lengths are 2.91 Å. In1+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All In–Se bond lengths are 2.81 Å. P5+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a 3-coordinate geometry to one Ag1+, one In1+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-20902
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; InAg(PSe3)2; Ag-In-P-Se
OSTI Identifier:
1196098
DOI:
https://doi.org/10.17188/1196098

Citation Formats

The Materials Project. Materials Data on InAg(PSe3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196098.
The Materials Project. Materials Data on InAg(PSe3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1196098
The Materials Project. 2020. "Materials Data on InAg(PSe3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1196098. https://www.osti.gov/servlets/purl/1196098. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1196098,
title = {Materials Data on InAg(PSe3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgIn(PSe3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgIn(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 InSe6 octahedra. All Ag–Se bond lengths are 2.91 Å. In1+ is bonded to six equivalent Se2- atoms to form InSe6 octahedra that share edges with three equivalent AgSe6 octahedra. All In–Se bond lengths are 2.81 Å. P5+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.22 Å. Se2- is bonded in a 3-coordinate geometry to one Ag1+, one In1+, and one P5+ atom.},
doi = {10.17188/1196098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}