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Title: Materials Data on CuI by Materials Project

Abstract

CuI is lead oxide-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one CuI sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are one shorter (2.61 Å) and three longer (2.68 Å) Cu–I bond lengths. In the second Cu1+ site, Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are one shorter (2.60 Å) and three longer (2.69 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four Cu1+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Cu1+ atoms.

Publication Date:
Other Number(s):
mp-570081
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:
1275462
DOI:
10.17188/1275462

Citation Formats

The Materials Project. Materials Data on CuI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275462.
The Materials Project. Materials Data on CuI by Materials Project. United States. doi:10.17188/1275462.
The Materials Project. 2020. "Materials Data on CuI by Materials Project". United States. doi:10.17188/1275462. https://www.osti.gov/servlets/purl/1275462. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1275462,
title = {Materials Data on CuI by Materials Project},
author = {The Materials Project},
abstractNote = {CuI is lead oxide-like structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one CuI sheet oriented in the (0, 0, 1) direction. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are one shorter (2.61 Å) and three longer (2.68 Å) Cu–I bond lengths. In the second Cu1+ site, Cu1+ is bonded to four I1- atoms to form a mixture of edge and corner-sharing CuI4 tetrahedra. There are one shorter (2.60 Å) and three longer (2.69 Å) Cu–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four Cu1+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Cu1+ atoms.},
doi = {10.17188/1275462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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