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Title: Materials Data on SbIrSe by Materials Project

Abstract

IrSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent Sb3- and three equivalent Se2- atoms to form IrSb3Se3 octahedra that share corners with twelve equivalent IrSb3Se3 octahedra, corners with three equivalent SeSbIr3 tetrahedra, and corners with three equivalent SbIr3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Ir–Sb bond lengths are 2.63 Å. All Ir–Se bond lengths are 2.58 Å. Sb3- is bonded to three equivalent Ir5+ and one Se2- atom to form distorted SbIr3Se trigonal pyramids that share corners with three equivalent IrSb3Se3 octahedra, corners with nine equivalent SeSbIr3 tetrahedra, and corners with six equivalent SbIr3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. The Sb–Se bond length is 2.66 Å. Se2- is bonded to three equivalent Ir5+ and one Sb3- atom to form SeSbIr3 tetrahedra that share corners with three equivalent IrSb3Se3 octahedra, corners with six equivalent SeSbIr3 tetrahedra, and corners with nine equivalent SbIr3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.

Publication Date:
Other Number(s):
mp-1095507
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; SbIrSe; Ir-Sb-Se
OSTI Identifier:
1656012
DOI:
https://doi.org/10.17188/1656012

Citation Formats

The Materials Project. Materials Data on SbIrSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656012.
The Materials Project. Materials Data on SbIrSe by Materials Project. United States. doi:https://doi.org/10.17188/1656012
The Materials Project. 2020. "Materials Data on SbIrSe by Materials Project". United States. doi:https://doi.org/10.17188/1656012. https://www.osti.gov/servlets/purl/1656012. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1656012,
title = {Materials Data on SbIrSe by Materials Project},
author = {The Materials Project},
abstractNote = {IrSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent Sb3- and three equivalent Se2- atoms to form IrSb3Se3 octahedra that share corners with twelve equivalent IrSb3Se3 octahedra, corners with three equivalent SeSbIr3 tetrahedra, and corners with three equivalent SbIr3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Ir–Sb bond lengths are 2.63 Å. All Ir–Se bond lengths are 2.58 Å. Sb3- is bonded to three equivalent Ir5+ and one Se2- atom to form distorted SbIr3Se trigonal pyramids that share corners with three equivalent IrSb3Se3 octahedra, corners with nine equivalent SeSbIr3 tetrahedra, and corners with six equivalent SbIr3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. The Sb–Se bond length is 2.66 Å. Se2- is bonded to three equivalent Ir5+ and one Sb3- atom to form SeSbIr3 tetrahedra that share corners with three equivalent IrSb3Se3 octahedra, corners with six equivalent SeSbIr3 tetrahedra, and corners with nine equivalent SbIr3Se trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.},
doi = {10.17188/1656012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}