DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on AsIrS by Materials Project

Abstract

IrAsS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent As3- and three equivalent S2- atoms to form IrAs3S3 octahedra that share corners with twelve equivalent IrAs3S3 octahedra, corners with three equivalent AsIr3S tetrahedra, and corners with three equivalent SAsIr3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Ir–As bond lengths are 2.46 Å. All Ir–S bond lengths are 2.43 Å. As3- is bonded to three equivalent Ir5+ and one S2- atom to form distorted AsIr3S tetrahedra that share corners with three equivalent IrAs3S3 octahedra, corners with six equivalent AsIr3S tetrahedra, and corners with nine equivalent SAsIr3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–S bond length is 2.34 Å. S2- is bonded to three equivalent Ir5+ and one As3- atom to form SAsIr3 tetrahedra that share corners with three equivalent IrAs3S3 octahedra, corners with six equivalent SAsIr3 tetrahedra, and corners with nine equivalent AsIr3S tetrahedra. The corner-sharing octahedral tilt angles are 78°.

Authors:
Publication Date:
Other Number(s):
mp-1228823
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; AsIrS; As-Ir-S
OSTI Identifier:
1711200
DOI:
https://doi.org/10.17188/1711200

Citation Formats

The Materials Project. Materials Data on AsIrS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711200.
The Materials Project. Materials Data on AsIrS by Materials Project. United States. doi:https://doi.org/10.17188/1711200
The Materials Project. 2020. "Materials Data on AsIrS by Materials Project". United States. doi:https://doi.org/10.17188/1711200. https://www.osti.gov/servlets/purl/1711200. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1711200,
title = {Materials Data on AsIrS by Materials Project},
author = {The Materials Project},
abstractNote = {IrAsS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent As3- and three equivalent S2- atoms to form IrAs3S3 octahedra that share corners with twelve equivalent IrAs3S3 octahedra, corners with three equivalent AsIr3S tetrahedra, and corners with three equivalent SAsIr3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Ir–As bond lengths are 2.46 Å. All Ir–S bond lengths are 2.43 Å. As3- is bonded to three equivalent Ir5+ and one S2- atom to form distorted AsIr3S tetrahedra that share corners with three equivalent IrAs3S3 octahedra, corners with six equivalent AsIr3S tetrahedra, and corners with nine equivalent SAsIr3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–S bond length is 2.34 Å. S2- is bonded to three equivalent Ir5+ and one As3- atom to form SAsIr3 tetrahedra that share corners with three equivalent IrAs3S3 octahedra, corners with six equivalent SAsIr3 tetrahedra, and corners with nine equivalent AsIr3S tetrahedra. The corner-sharing octahedral tilt angles are 78°.},
doi = {10.17188/1711200},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}