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Title: Materials Data on Ga8BIr4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202993· OSTI ID:1202993

Ir4Ga8B crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to eight Ga and one B atom. There are a spread of Ir–Ga bond distances ranging from 2.61–2.65 Å. The Ir–B bond length is 2.17 Å. In the second Ir site, Ir is bonded in a 1-coordinate geometry to eight Ga and one B atom. There are a spread of Ir–Ga bond distances ranging from 2.62–2.67 Å. The Ir–B bond length is 2.14 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to four Ir atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Ir atoms. B is bonded in a square co-planar geometry to four Ir 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:
1202993
Report Number(s):
mp-28924
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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