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Title: Materials Data on Ir3S8 by Materials Project

Abstract

Ir3S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir5+ is bonded to six S+1.88- atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–S bond distances ranging from 2.36–2.41 Å. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir5+ and one S+1.88- atom. The S–S bond length is 2.15 Å. In the second S+1.88- site, S+1.88- is bonded in a 3-coordinate geometry to three equivalent Ir5+ atoms.

Publication Date:
Other Number(s):
mp-1101826
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; Ir3S8; Ir-S
OSTI Identifier:
1685805
DOI:
https://doi.org/10.17188/1685805

Citation Formats

The Materials Project. Materials Data on Ir3S8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685805.
The Materials Project. Materials Data on Ir3S8 by Materials Project. United States. doi:https://doi.org/10.17188/1685805
The Materials Project. 2020. "Materials Data on Ir3S8 by Materials Project". United States. doi:https://doi.org/10.17188/1685805. https://www.osti.gov/servlets/purl/1685805. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685805,
title = {Materials Data on Ir3S8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ir3S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ir5+ is bonded to six S+1.88- atoms to form corner-sharing IrS6 octahedra. The corner-sharing octahedra tilt angles range from 63–64°. There are a spread of Ir–S bond distances ranging from 2.36–2.41 Å. There are two inequivalent S+1.88- sites. In the first S+1.88- site, S+1.88- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ir5+ and one S+1.88- atom. The S–S bond length is 2.15 Å. In the second S+1.88- site, S+1.88- is bonded in a 3-coordinate geometry to three equivalent Ir5+ atoms.},
doi = {10.17188/1685805},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}