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

Title: Materials Data on AgSb3PbS6 by Materials Project

Abstract

Sb3PbAgS6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.40–2.63 Å. Pb2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Pb–S bond distances ranging from 2.77–3.12 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.43–2.53 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.55 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.50–3.27 Å. There are six 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 distorted T-shaped geometry to one Ag1+, one Pb2+, and one Sb3+ atom. In the third S2- site,more » S2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and two Sb3+ atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to one Ag1+, one Pb2+, and one Sb3+ atom. In the sixth S2- site, S2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1229272
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; AgSb3PbS6; Ag-Pb-S-Sb
OSTI Identifier:
1698695
DOI:
https://doi.org/10.17188/1698695

Citation Formats

The Materials Project. Materials Data on AgSb3PbS6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1698695.
The Materials Project. Materials Data on AgSb3PbS6 by Materials Project. United States. doi:https://doi.org/10.17188/1698695
The Materials Project. 2019. "Materials Data on AgSb3PbS6 by Materials Project". United States. doi:https://doi.org/10.17188/1698695. https://www.osti.gov/servlets/purl/1698695. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1698695,
title = {Materials Data on AgSb3PbS6 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb3PbAgS6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.40–2.63 Å. Pb2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Pb–S bond distances ranging from 2.77–3.12 Å. There are three inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.43–2.53 Å. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.55 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.50–3.27 Å. There are six 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 distorted T-shaped geometry to one Ag1+, one Pb2+, and one Sb3+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to two equivalent Pb2+ and two Sb3+ atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to one Ag1+, one Pb2+, and one Sb3+ atom. In the sixth S2- site, S2- is bonded in a 3-coordinate geometry to one Ag1+ and two Sb3+ atoms.},
doi = {10.17188/1698695},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}