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Title: Materials Data on AgSbS2 by Materials Project

Abstract

AgSbS2 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two AgSbS2 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two S2- atoms. Both Ag–S bond lengths are 2.40 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) Ag–S bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.48 Å) and one longer (2.49 Å) Sb–S bond lengths. In the second Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.48 Å) and one longer (2.49 Å) Sb–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Sb3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Ag1+ and one Sb3+ atom. In the third S2- site, S2- ismore » bonded in a 3-coordinate geometry to two Ag1+ and one Sb3+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to two Sb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1182950
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AgSbS2; Ag-S-Sb
OSTI Identifier:
1686896
DOI:
https://doi.org/10.17188/1686896

Citation Formats

The Materials Project. Materials Data on AgSbS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686896.
The Materials Project. Materials Data on AgSbS2 by Materials Project. United States. doi:https://doi.org/10.17188/1686896
The Materials Project. 2020. "Materials Data on AgSbS2 by Materials Project". United States. doi:https://doi.org/10.17188/1686896. https://www.osti.gov/servlets/purl/1686896. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1686896,
title = {Materials Data on AgSbS2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgSbS2 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two AgSbS2 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two S2- atoms. Both Ag–S bond lengths are 2.40 Å. In the second Ag1+ site, Ag1+ is bonded in a linear geometry to two S2- atoms. There are one shorter (2.40 Å) and one longer (2.41 Å) Ag–S bond lengths. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.48 Å) and one longer (2.49 Å) Sb–S bond lengths. In the second Sb3+ site, Sb3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.48 Å) and one longer (2.49 Å) Sb–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Sb3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two Ag1+ and one Sb3+ atom. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two Ag1+ and one Sb3+ atom. In the fourth S2- site, S2- is bonded in a water-like geometry to two Sb3+ atoms.},
doi = {10.17188/1686896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}