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Title: Materials Data on Pd3(PbS)2 by Materials Project

Abstract

Pd3(PbS)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a distorted linear geometry to four Pb and two equivalent S atoms. There are two shorter (2.93 Å) and two longer (3.04 Å) Pd–Pb bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing PbPd6S2 hexagonal bipyramids. Both Pb–S bond lengths are 3.11 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Pd atoms. S is bonded in a 4-coordinate geometry to three equivalent Pd and one Pb atom.

Authors:
Publication Date:
Other Number(s):
mp-21863
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; Pd3(PbS)2; Pb-Pd-S
OSTI Identifier:
1197207
DOI:
https://doi.org/10.17188/1197207

Citation Formats

The Materials Project. Materials Data on Pd3(PbS)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197207.
The Materials Project. Materials Data on Pd3(PbS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1197207
The Materials Project. 2020. "Materials Data on Pd3(PbS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1197207. https://www.osti.gov/servlets/purl/1197207. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1197207,
title = {Materials Data on Pd3(PbS)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3(PbS)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a distorted linear geometry to four Pb and two equivalent S atoms. There are two shorter (2.93 Å) and two longer (3.04 Å) Pd–Pb bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing PbPd6S2 hexagonal bipyramids. Both Pb–S bond lengths are 3.11 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Pd atoms. S is bonded in a 4-coordinate geometry to three equivalent Pd and one Pb atom.},
doi = {10.17188/1197207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}