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Title: Materials Data on ScAg(PS3)2 by Materials Project

Abstract

ScAg(PS3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ScAg(PS3)2 sheets oriented in the (0, 0, 1) direction. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share edges with three equivalent AgS6 octahedra. All Sc–S bond lengths are 2.62 Å. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share edges with three equivalent ScS6 octahedra. All Ag–S bond lengths are 2.83 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. S2- is bonded in a 3-coordinate geometry to one Sc3+, one Ag1+, and one P4+ atom.

Publication Date:
Other Number(s):
mp-8616
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; ScAg(PS3)2; Ag-P-S-Sc
OSTI Identifier:
1309215
DOI:
https://doi.org/10.17188/1309215

Citation Formats

The Materials Project. Materials Data on ScAg(PS3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309215.
The Materials Project. Materials Data on ScAg(PS3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1309215
The Materials Project. 2020. "Materials Data on ScAg(PS3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1309215. https://www.osti.gov/servlets/purl/1309215. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1309215,
title = {Materials Data on ScAg(PS3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {ScAg(PS3)2 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two ScAg(PS3)2 sheets oriented in the (0, 0, 1) direction. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share edges with three equivalent AgS6 octahedra. All Sc–S bond lengths are 2.62 Å. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share edges with three equivalent ScS6 octahedra. All Ag–S bond lengths are 2.83 Å. P4+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. S2- is bonded in a 3-coordinate geometry to one Sc3+, one Ag1+, and one P4+ atom.},
doi = {10.17188/1309215},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}