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Title: Materials Data on BiPtSe by Materials Project

Abstract

PtBiSe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Bi3+ and three equivalent Se1- atoms to form PtBi3Se3 octahedra that share corners with twelve equivalent PtBi3Se3 octahedra, corners with three equivalent BiPt3Se trigonal pyramids, and corners with three equivalent SeBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Pt–Bi bond lengths are 2.78 Å. All Pt–Se bond lengths are 2.66 Å. Bi3+ is bonded to three equivalent Pt2- and one Se1- atom to form distorted BiPt3Se trigonal pyramids that share corners with three equivalent PtBi3Se3 octahedra, corners with six equivalent BiPt3Se trigonal pyramids, and corners with nine equivalent SeBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Bi–Se bond length is 2.84 Å. Se1- is bonded to three equivalent Pt2- and one Bi3+ atom to form distorted SeBiPt3 trigonal pyramids that share corners with three equivalent PtBi3Se3 octahedra, corners with six equivalent SeBiPt3 trigonal pyramids, and corners with nine equivalent BiPt3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.

Authors:
Publication Date:
Other Number(s):
mp-1103607
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; BiPtSe; Bi-Pt-Se
OSTI Identifier:
1694976
DOI:
https://doi.org/10.17188/1694976

Citation Formats

The Materials Project. Materials Data on BiPtSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694976.
The Materials Project. Materials Data on BiPtSe by Materials Project. United States. doi:https://doi.org/10.17188/1694976
The Materials Project. 2020. "Materials Data on BiPtSe by Materials Project". United States. doi:https://doi.org/10.17188/1694976. https://www.osti.gov/servlets/purl/1694976. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1694976,
title = {Materials Data on BiPtSe by Materials Project},
author = {The Materials Project},
abstractNote = {PtBiSe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt2- is bonded to three equivalent Bi3+ and three equivalent Se1- atoms to form PtBi3Se3 octahedra that share corners with twelve equivalent PtBi3Se3 octahedra, corners with three equivalent BiPt3Se trigonal pyramids, and corners with three equivalent SeBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Pt–Bi bond lengths are 2.78 Å. All Pt–Se bond lengths are 2.66 Å. Bi3+ is bonded to three equivalent Pt2- and one Se1- atom to form distorted BiPt3Se trigonal pyramids that share corners with three equivalent PtBi3Se3 octahedra, corners with six equivalent BiPt3Se trigonal pyramids, and corners with nine equivalent SeBiPt3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Bi–Se bond length is 2.84 Å. Se1- is bonded to three equivalent Pt2- and one Bi3+ atom to form distorted SeBiPt3 trigonal pyramids that share corners with three equivalent PtBi3Se3 octahedra, corners with six equivalent SeBiPt3 trigonal pyramids, and corners with nine equivalent BiPt3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.},
doi = {10.17188/1694976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}