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Title: Materials Data on SbPb3 by Materials Project

Abstract

Pb3Sb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded to twelve Pb atoms to form PbPb12 cuboctahedra that share corners with six equivalent PbPb12 cuboctahedra, corners with twelve equivalent SbSb6Pb6 cuboctahedra, edges with eighteen PbPb12 cuboctahedra, faces with two equivalent SbSb6Pb6 cuboctahedra, and faces with eighteen PbPb12 cuboctahedra. There are six shorter (3.46 Å) and six longer (3.59 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded to nine Pb and three equivalent Sb atoms to form distorted PbSb3Pb9 cuboctahedra that share corners with eighteen equivalent PbSb3Pb9 cuboctahedra, edges with six equivalent SbSb6Pb6 cuboctahedra, edges with twelve PbPb12 cuboctahedra, faces with six equivalent SbSb6Pb6 cuboctahedra, and faces with fourteen PbPb12 cuboctahedra. All Pb–Pb bond lengths are 3.46 Å. All Pb–Sb bond lengths are 3.51 Å. Sb is bonded to six equivalent Pb and six equivalent Sb atoms to form distorted SbSb6Pb6 cuboctahedra that share corners with six equivalent SbSb6Pb6 cuboctahedra, corners with twelve equivalent PbPb12 cuboctahedra, edges with six equivalent SbSb6Pb6 cuboctahedra, edges with twelve equivalent PbSb3Pb9 cuboctahedra, faces with six equivalent SbSb6Pb6 cuboctahedra, and facesmore » with fourteen PbPb12 cuboctahedra. All Sb–Sb bond lengths are 3.46 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1219498
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; SbPb3; Pb-Sb
OSTI Identifier:
1683199
DOI:
https://doi.org/10.17188/1683199

Citation Formats

The Materials Project. Materials Data on SbPb3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683199.
The Materials Project. Materials Data on SbPb3 by Materials Project. United States. doi:https://doi.org/10.17188/1683199
The Materials Project. 2020. "Materials Data on SbPb3 by Materials Project". United States. doi:https://doi.org/10.17188/1683199. https://www.osti.gov/servlets/purl/1683199. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683199,
title = {Materials Data on SbPb3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3Sb is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded to twelve Pb atoms to form PbPb12 cuboctahedra that share corners with six equivalent PbPb12 cuboctahedra, corners with twelve equivalent SbSb6Pb6 cuboctahedra, edges with eighteen PbPb12 cuboctahedra, faces with two equivalent SbSb6Pb6 cuboctahedra, and faces with eighteen PbPb12 cuboctahedra. There are six shorter (3.46 Å) and six longer (3.59 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded to nine Pb and three equivalent Sb atoms to form distorted PbSb3Pb9 cuboctahedra that share corners with eighteen equivalent PbSb3Pb9 cuboctahedra, edges with six equivalent SbSb6Pb6 cuboctahedra, edges with twelve PbPb12 cuboctahedra, faces with six equivalent SbSb6Pb6 cuboctahedra, and faces with fourteen PbPb12 cuboctahedra. All Pb–Pb bond lengths are 3.46 Å. All Pb–Sb bond lengths are 3.51 Å. Sb is bonded to six equivalent Pb and six equivalent Sb atoms to form distorted SbSb6Pb6 cuboctahedra that share corners with six equivalent SbSb6Pb6 cuboctahedra, corners with twelve equivalent PbPb12 cuboctahedra, edges with six equivalent SbSb6Pb6 cuboctahedra, edges with twelve equivalent PbSb3Pb9 cuboctahedra, faces with six equivalent SbSb6Pb6 cuboctahedra, and faces with fourteen PbPb12 cuboctahedra. All Sb–Sb bond lengths are 3.46 Å.},
doi = {10.17188/1683199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}