skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

AgInP2S6 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgInP2S6 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share edges with three equivalent InS6 octahedra. All Ag–S bond lengths are 2.80 Å. In1+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share edges with three equivalent AgS6 octahedra. All In–S bond lengths are 2.69 Å. P5+ 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 Ag1+, one In1+, and one P5+ atom.

Publication Date:
Other Number(s):
mp-22661
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(PS3)2; Ag-In-P-S
OSTI Identifier:
1198873
DOI:
https://doi.org/10.17188/1198873

Citation Formats

The Materials Project. Materials Data on InAg(PS3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1198873.
The Materials Project. Materials Data on InAg(PS3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1198873
The Materials Project. 2020. "Materials Data on InAg(PS3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1198873. https://www.osti.gov/servlets/purl/1198873. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1198873,
title = {Materials Data on InAg(PS3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgInP2S6 crystallizes in the trigonal P-31c space group. The structure is two-dimensional and consists of two AgInP2S6 sheets oriented in the (0, 0, 1) direction. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share edges with three equivalent InS6 octahedra. All Ag–S bond lengths are 2.80 Å. In1+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share edges with three equivalent AgS6 octahedra. All In–S bond lengths are 2.69 Å. P5+ 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 Ag1+, one In1+, and one P5+ atom.},
doi = {10.17188/1198873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}