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Title: Materials Data on GaCuI4 by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-29403
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; GaCuI4; Cu-Ga-I
OSTI Identifier:
1203779
DOI:
https://doi.org/10.17188/1203779

Citation Formats

The Materials Project. Materials Data on GaCuI4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203779.
The Materials Project. Materials Data on GaCuI4 by Materials Project. United States. doi:https://doi.org/10.17188/1203779
The Materials Project. 2020. "Materials Data on GaCuI4 by Materials Project". United States. doi:https://doi.org/10.17188/1203779. https://www.osti.gov/servlets/purl/1203779. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1203779,
title = {Materials Data on GaCuI4 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1203779},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}