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Title: Materials Data on GaCuI4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203779· OSTI ID:1203779

CuGaI4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent I1- atoms to form CuI4 tetrahedra that share corners with four equivalent GaI4 tetrahedra. All Cu–I bond lengths are 2.62 Å. Ga3+ is bonded to four equivalent I1- atoms to form GaI4 tetrahedra that share corners with four equivalent CuI4 tetrahedra. All Ga–I bond lengths are 2.61 Å. I1- is bonded in a water-like geometry to one Cu1+ and one Ga3+ atom.

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:
1203779
Report Number(s):
mp-29403
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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