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Title: Materials Data on AgSnS2 by Materials Project

Abstract

AgSnS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with six equivalent AgS6 octahedra, edges with four equivalent AgS6 octahedra, and edges with eight equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.74 Å) and four longer (2.77 Å) Ag–S bond lengths. Sn3+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with six equivalent SnS6 octahedra, edges with four equivalent SnS6 octahedra, and edges with eight equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.74 Å) and four longer (2.77 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and four equivalent Sn3+ atoms to form a mixture of corner and edge-sharing SAg2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S2- site, S2- is bonded to four equivalent Ag1+ and two equivalent Sn3+ atoms to form SAg4Sn2 octahedra that share corners with six equivalent SAg4Sn2 octahedra and edges with twelve SAg2Sn4 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1229005
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; AgSnS2; Ag-S-Sn
OSTI Identifier:
1682767
DOI:
https://doi.org/10.17188/1682767

Citation Formats

The Materials Project. Materials Data on AgSnS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682767.
The Materials Project. Materials Data on AgSnS2 by Materials Project. United States. doi:https://doi.org/10.17188/1682767
The Materials Project. 2020. "Materials Data on AgSnS2 by Materials Project". United States. doi:https://doi.org/10.17188/1682767. https://www.osti.gov/servlets/purl/1682767. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682767,
title = {Materials Data on AgSnS2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgSnS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with six equivalent AgS6 octahedra, edges with four equivalent AgS6 octahedra, and edges with eight equivalent SnS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.74 Å) and four longer (2.77 Å) Ag–S bond lengths. Sn3+ is bonded to six S2- atoms to form SnS6 octahedra that share corners with six equivalent SnS6 octahedra, edges with four equivalent SnS6 octahedra, and edges with eight equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.74 Å) and four longer (2.77 Å) Sn–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+ and four equivalent Sn3+ atoms to form a mixture of corner and edge-sharing SAg2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second S2- site, S2- is bonded to four equivalent Ag1+ and two equivalent Sn3+ atoms to form SAg4Sn2 octahedra that share corners with six equivalent SAg4Sn2 octahedra and edges with twelve SAg2Sn4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1682767},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}