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Title: Materials Data on AgSbPbS3 by Materials Project

Abstract

AgPbSbS3 is Caswellsilverite-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with two equivalent PbS6 octahedra, corners with two equivalent SbS6 octahedra, edges with two equivalent AgS6 octahedra, edges with five equivalent PbS6 octahedra, and edges with five equivalent SbS6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are a spread of Ag–S bond distances ranging from 2.80–2.90 Å. Pb2+ is bonded to six S2- atoms to form PbS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with two equivalent PbS6 octahedra, corners with two equivalent SbS6 octahedra, edges with two equivalent PbS6 octahedra, edges with five equivalent AgS6 octahedra, and edges with five equivalent SbS6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Pb–S bond distances ranging from 2.87–3.01 Å. Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with two equivalent PbS6 octahedra, corners with two equivalent SbS6 octahedra, edges with two equivalent SbS6 octahedra, edges with five equivalent AgS6 octahedra, andmore » edges with five equivalent PbS6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. There are a spread of Sb–S bond distances ranging from 2.73–2.87 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. In the second S2- site, S2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the third S2- site, S2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 2–4°.« less

Publication Date:
Other Number(s):
mp-1229064
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; AgSbPbS3; Ag-Pb-S-Sb
OSTI Identifier:
1685834
DOI:
https://doi.org/10.17188/1685834

Citation Formats

The Materials Project. Materials Data on AgSbPbS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685834.
The Materials Project. Materials Data on AgSbPbS3 by Materials Project. United States. doi:https://doi.org/10.17188/1685834
The Materials Project. 2020. "Materials Data on AgSbPbS3 by Materials Project". United States. doi:https://doi.org/10.17188/1685834. https://www.osti.gov/servlets/purl/1685834. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685834,
title = {Materials Data on AgSbPbS3 by Materials Project},
author = {The Materials Project},
abstractNote = {AgPbSbS3 is Caswellsilverite-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ag1+ is bonded to six S2- atoms to form AgS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with two equivalent PbS6 octahedra, corners with two equivalent SbS6 octahedra, edges with two equivalent AgS6 octahedra, edges with five equivalent PbS6 octahedra, and edges with five equivalent SbS6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. There are a spread of Ag–S bond distances ranging from 2.80–2.90 Å. Pb2+ is bonded to six S2- atoms to form PbS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with two equivalent PbS6 octahedra, corners with two equivalent SbS6 octahedra, edges with two equivalent PbS6 octahedra, edges with five equivalent AgS6 octahedra, and edges with five equivalent SbS6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Pb–S bond distances ranging from 2.87–3.01 Å. Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with two equivalent AgS6 octahedra, corners with two equivalent PbS6 octahedra, corners with two equivalent SbS6 octahedra, edges with two equivalent SbS6 octahedra, edges with five equivalent AgS6 octahedra, and edges with five equivalent PbS6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. There are a spread of Sb–S bond distances ranging from 2.73–2.87 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. In the second S2- site, S2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the third S2- site, S2- is bonded to two equivalent Ag1+, two equivalent Pb2+, and two equivalent Sb3+ atoms to form a mixture of edge and corner-sharing SAg2Sb2Pb2 octahedra. The corner-sharing octahedra tilt angles range from 2–4°.},
doi = {10.17188/1685834},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}