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Title: Materials Data on Cr2B2Ir by Materials Project

Abstract

Cr2IrB2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 4-coordinate geometry to five B atoms. There are a spread of Cr–B bond distances ranging from 2.14–2.56 Å. In the second Cr site, Cr is bonded in a 4-coordinate geometry to six B atoms. There are four shorter (2.20 Å) and two longer (2.59 Å) Cr–B bond lengths. In the third Cr site, Cr is bonded in a 8-coordinate geometry to eight B atoms. All Cr–B bond lengths are 2.18 Å. Ir is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.14 Å) and one longer (2.30 Å) Ir–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Cr, two equivalent Ir, and one B atom. The B–B bond length is 1.78 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Cr, one Ir, and two B atoms. The B–B bond length is 1.84 Å.

Authors:
Publication Date:
Other Number(s):
mp-569911
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; Cr2B2Ir; B-Cr-Ir
OSTI Identifier:
1275335
DOI:
https://doi.org/10.17188/1275335

Citation Formats

The Materials Project. Materials Data on Cr2B2Ir by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275335.
The Materials Project. Materials Data on Cr2B2Ir by Materials Project. United States. doi:https://doi.org/10.17188/1275335
The Materials Project. 2020. "Materials Data on Cr2B2Ir by Materials Project". United States. doi:https://doi.org/10.17188/1275335. https://www.osti.gov/servlets/purl/1275335. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1275335,
title = {Materials Data on Cr2B2Ir by Materials Project},
author = {The Materials Project},
abstractNote = {Cr2IrB2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a 4-coordinate geometry to five B atoms. There are a spread of Cr–B bond distances ranging from 2.14–2.56 Å. In the second Cr site, Cr is bonded in a 4-coordinate geometry to six B atoms. There are four shorter (2.20 Å) and two longer (2.59 Å) Cr–B bond lengths. In the third Cr site, Cr is bonded in a 8-coordinate geometry to eight B atoms. All Cr–B bond lengths are 2.18 Å. Ir is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.14 Å) and one longer (2.30 Å) Ir–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Cr, two equivalent Ir, and one B atom. The B–B bond length is 1.78 Å. In the second B site, B is bonded in a 9-coordinate geometry to six Cr, one Ir, and two B atoms. The B–B bond length is 1.84 Å.},
doi = {10.17188/1275335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}