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Title: Materials Data on TeAsIr by Materials Project

Abstract

IrAsTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent As3- and three equivalent Te2- atoms to form IrTe3As3 octahedra that share corners with twelve equivalent IrTe3As3 octahedra, corners with three equivalent TeAsIr3 tetrahedra, and corners with three equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Ir–As bond lengths are 2.53 Å. All Ir–Te bond lengths are 2.66 Å. As3- is bonded to three equivalent Ir5+ and one Te2- atom to form AsTeIr3 trigonal pyramids that share corners with three equivalent IrTe3As3 octahedra, corners with nine equivalent TeAsIr3 tetrahedra, and corners with six equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. The As–Te bond length is 2.65 Å. Te2- is bonded to three equivalent Ir5+ and one As3- atom to form TeAsIr3 tetrahedra that share corners with three equivalent IrTe3As3 octahedra, corners with six equivalent TeAsIr3 tetrahedra, and corners with nine equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.

Authors:
Publication Date:
Other Number(s):
mp-1217272
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; TeAsIr; As-Ir-Te
OSTI Identifier:
1695412
DOI:
https://doi.org/10.17188/1695412

Citation Formats

The Materials Project. Materials Data on TeAsIr by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1695412.
The Materials Project. Materials Data on TeAsIr by Materials Project. United States. doi:https://doi.org/10.17188/1695412
The Materials Project. 2019. "Materials Data on TeAsIr by Materials Project". United States. doi:https://doi.org/10.17188/1695412. https://www.osti.gov/servlets/purl/1695412. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695412,
title = {Materials Data on TeAsIr by Materials Project},
author = {The Materials Project},
abstractNote = {IrAsTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent As3- and three equivalent Te2- atoms to form IrTe3As3 octahedra that share corners with twelve equivalent IrTe3As3 octahedra, corners with three equivalent TeAsIr3 tetrahedra, and corners with three equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedra tilt angles range from 63–64°. All Ir–As bond lengths are 2.53 Å. All Ir–Te bond lengths are 2.66 Å. As3- is bonded to three equivalent Ir5+ and one Te2- atom to form AsTeIr3 trigonal pyramids that share corners with three equivalent IrTe3As3 octahedra, corners with nine equivalent TeAsIr3 tetrahedra, and corners with six equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 79°. The As–Te bond length is 2.65 Å. Te2- is bonded to three equivalent Ir5+ and one As3- atom to form TeAsIr3 tetrahedra that share corners with three equivalent IrTe3As3 octahedra, corners with six equivalent TeAsIr3 tetrahedra, and corners with nine equivalent AsTeIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.},
doi = {10.17188/1695412},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}