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Title: Materials Data on CuI by Materials Project

Abstract

CuI crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are one shorter (2.52 Å) and three longer (2.70 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-23306
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; CuI; Cu-I
OSTI Identifier:
1199413
DOI:
https://doi.org/10.17188/1199413

Citation Formats

The Materials Project. Materials Data on CuI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199413.
The Materials Project. Materials Data on CuI by Materials Project. United States. doi:https://doi.org/10.17188/1199413
The Materials Project. 2020. "Materials Data on CuI by Materials Project". United States. doi:https://doi.org/10.17188/1199413. https://www.osti.gov/servlets/purl/1199413. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199413,
title = {Materials Data on CuI by Materials Project},
author = {The Materials Project},
abstractNote = {CuI crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are one shorter (2.52 Å) and three longer (2.70 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Cu1+ atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six equivalent Cu1+ atoms.},
doi = {10.17188/1199413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}