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Title: Materials Data on BiSbPt by Materials Project

Abstract

PtBiSb is Pyrite-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Bi3+ and three equivalent Sb1- atoms to form PtBi3Sb3 octahedra that share corners with twelve equivalent PtBi3Sb3 octahedra, corners with three equivalent BiSbPt3 trigonal pyramids, and corners with three equivalent SbBiPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pt–Bi bond lengths are 2.84 Å. All Pt–Sb bond lengths are 2.72 Å. Bi3+ is bonded to three equivalent Pt2- and one Sb1- atom to form distorted BiSbPt3 trigonal pyramids that share corners with three equivalent PtBi3Sb3 octahedra, corners with six equivalent BiSbPt3 trigonal pyramids, and corners with nine equivalent SbBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Sb bond length is 2.94 Å. Sb1- is bonded to three equivalent Pt2- and one Bi3+ atom to form distorted SbBiPt3 trigonal pyramids that share corners with three equivalent PtBi3Sb3 octahedra, corners with six equivalent SbBiPt3 trigonal pyramids, and corners with nine equivalent BiSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.

Publication Date:
Other Number(s):
mp-1227441
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; BiSbPt; Bi-Pt-Sb
OSTI Identifier:
1664055
DOI:
https://doi.org/10.17188/1664055

Citation Formats

The Materials Project. Materials Data on BiSbPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664055.
The Materials Project. Materials Data on BiSbPt by Materials Project. United States. doi:https://doi.org/10.17188/1664055
The Materials Project. 2020. "Materials Data on BiSbPt by Materials Project". United States. doi:https://doi.org/10.17188/1664055. https://www.osti.gov/servlets/purl/1664055. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1664055,
title = {Materials Data on BiSbPt by Materials Project},
author = {The Materials Project},
abstractNote = {PtBiSb is Pyrite-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Bi3+ and three equivalent Sb1- atoms to form PtBi3Sb3 octahedra that share corners with twelve equivalent PtBi3Sb3 octahedra, corners with three equivalent BiSbPt3 trigonal pyramids, and corners with three equivalent SbBiPt3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Pt–Bi bond lengths are 2.84 Å. All Pt–Sb bond lengths are 2.72 Å. Bi3+ is bonded to three equivalent Pt2- and one Sb1- atom to form distorted BiSbPt3 trigonal pyramids that share corners with three equivalent PtBi3Sb3 octahedra, corners with six equivalent BiSbPt3 trigonal pyramids, and corners with nine equivalent SbBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Sb bond length is 2.94 Å. Sb1- is bonded to three equivalent Pt2- and one Bi3+ atom to form distorted SbBiPt3 trigonal pyramids that share corners with three equivalent PtBi3Sb3 octahedra, corners with six equivalent SbBiPt3 trigonal pyramids, and corners with nine equivalent BiSbPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.},
doi = {10.17188/1664055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}