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Title: Materials Data on BiTeIr by Materials Project

Abstract

IrBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir is bonded to three equivalent Bi and three equivalent Te atoms to form IrBi3Te3 octahedra that share corners with twelve equivalent IrBi3Te3 octahedra, corners with three equivalent BiTeIr3 trigonal pyramids, and corners with three equivalent TeBiIr3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Ir–Bi bond lengths are 2.77 Å. All Ir–Te bond lengths are 2.70 Å. Bi is bonded to three equivalent Ir and one Te atom to form distorted BiTeIr3 trigonal pyramids that share corners with three equivalent IrBi3Te3 octahedra, corners with six equivalent BiTeIr3 trigonal pyramids, and corners with nine equivalent TeBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 2.95 Å. Te is bonded to three equivalent Ir and one Bi atom to form distorted TeBiIr3 trigonal pyramids that share corners with three equivalent IrBi3Te3 octahedra, corners with six equivalent TeBiIr3 trigonal pyramids, and corners with nine equivalent BiTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.

Authors:
Publication Date:
Other Number(s):
mp-1227372
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; BiTeIr; Bi-Ir-Te
OSTI Identifier:
1753639
DOI:
https://doi.org/10.17188/1753639

Citation Formats

The Materials Project. Materials Data on BiTeIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753639.
The Materials Project. Materials Data on BiTeIr by Materials Project. United States. doi:https://doi.org/10.17188/1753639
The Materials Project. 2020. "Materials Data on BiTeIr by Materials Project". United States. doi:https://doi.org/10.17188/1753639. https://www.osti.gov/servlets/purl/1753639. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1753639,
title = {Materials Data on BiTeIr by Materials Project},
author = {The Materials Project},
abstractNote = {IrBiTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir is bonded to three equivalent Bi and three equivalent Te atoms to form IrBi3Te3 octahedra that share corners with twelve equivalent IrBi3Te3 octahedra, corners with three equivalent BiTeIr3 trigonal pyramids, and corners with three equivalent TeBiIr3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 62–63°. All Ir–Bi bond lengths are 2.77 Å. All Ir–Te bond lengths are 2.70 Å. Bi is bonded to three equivalent Ir and one Te atom to form distorted BiTeIr3 trigonal pyramids that share corners with three equivalent IrBi3Te3 octahedra, corners with six equivalent BiTeIr3 trigonal pyramids, and corners with nine equivalent TeBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°. The Bi–Te bond length is 2.95 Å. Te is bonded to three equivalent Ir and one Bi atom to form distorted TeBiIr3 trigonal pyramids that share corners with three equivalent IrBi3Te3 octahedra, corners with six equivalent TeBiIr3 trigonal pyramids, and corners with nine equivalent BiTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.},
doi = {10.17188/1753639},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}