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Title: Materials Data on Sb2Ir by Materials Project

Abstract

IrSb2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir5+ is bonded to six Sb+2.50- atoms to form a mixture of edge and corner-sharing IrSb6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Ir–Sb bond distances ranging from 2.63–2.72 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 4-coordinate geometry to three equivalent Ir5+ and one Sb+2.50- atom. The Sb–Sb bond length is 2.89 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 4-coordinate geometry to three equivalent Ir5+ and one Sb+2.50- atom.

Publication Date:
Other Number(s):
mp-1247
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; Sb2Ir; Ir-Sb
OSTI Identifier:
1188848
DOI:
https://doi.org/10.17188/1188848

Citation Formats

The Materials Project. Materials Data on Sb2Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188848.
The Materials Project. Materials Data on Sb2Ir by Materials Project. United States. doi:https://doi.org/10.17188/1188848
The Materials Project. 2020. "Materials Data on Sb2Ir by Materials Project". United States. doi:https://doi.org/10.17188/1188848. https://www.osti.gov/servlets/purl/1188848. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188848,
title = {Materials Data on Sb2Ir by Materials Project},
author = {The Materials Project},
abstractNote = {IrSb2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ir5+ is bonded to six Sb+2.50- atoms to form a mixture of edge and corner-sharing IrSb6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Ir–Sb bond distances ranging from 2.63–2.72 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 4-coordinate geometry to three equivalent Ir5+ and one Sb+2.50- atom. The Sb–Sb bond length is 2.89 Å. In the second Sb+2.50- site, Sb+2.50- is bonded in a 4-coordinate geometry to three equivalent Ir5+ and one Sb+2.50- atom.},
doi = {10.17188/1188848},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}