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Title: Materials Data on IrOs2Br by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279174· OSTI ID:1279174

Os2IrBr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os+1.50- is bonded to four equivalent Ir4+ and four equivalent Br1- atoms to form a mixture of distorted corner, edge, and face-sharing OsIr4Br4 tetrahedra. All Os–Ir bond lengths are 2.73 Å. All Os–Br bond lengths are 2.73 Å. Ir4+ is bonded in a 8-coordinate geometry to eight equivalent Os+1.50- and six equivalent Br1- atoms. All Ir–Br bond lengths are 3.15 Å. Br1- is bonded in a distorted body-centered cubic geometry to eight equivalent Os+1.50- and six equivalent Ir4+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1279174
Report Number(s):
mp-631480
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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