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Title: Materials Data on CuI by Materials Project

Abstract

CuI is Moissanite 9R-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are one shorter (2.62 Å) and three longer (2.63 Å) Cu–I bond lengths. In the second Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are three shorter (2.62 Å) and one longer (2.63 Å) Cu–I bond lengths. In the third Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are one shorter (2.62 Å) and three longer (2.63 Å) Cu–I bond lengths. In the fourth Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. All Cu–I bond lengths are 2.62 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded to four Cu1+ atoms to form corner-sharing ICu4 tetrahedra. In the second I1- site, I1- is bonded to four Cu1+ atoms to form corner-sharing ICu4 tetrahedra. In the third I1- site, I1- is bonded to four Cu1+ atoms to form corner-sharing ICu4 tetrahedra. In the fourthmore » I1- site, I1- is bonded to four Cu1+ atoms to form corner-sharing ICu4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-32750
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:
1206370
DOI:
10.17188/1206370

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206370.
Persson, Kristin, & Project, Materials. Materials Data on CuI by Materials Project. United States. doi:10.17188/1206370.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuI by Materials Project". United States. doi:10.17188/1206370. https://www.osti.gov/servlets/purl/1206370. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1206370,
title = {Materials Data on CuI by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuI is Moissanite 9R-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are one shorter (2.62 Å) and three longer (2.63 Å) Cu–I bond lengths. In the second Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are three shorter (2.62 Å) and one longer (2.63 Å) Cu–I bond lengths. In the third Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. There are one shorter (2.62 Å) and three longer (2.63 Å) Cu–I bond lengths. In the fourth Cu1+ site, Cu1+ is bonded to four I1- atoms to form corner-sharing CuI4 tetrahedra. All Cu–I bond lengths are 2.62 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded to four Cu1+ atoms to form corner-sharing ICu4 tetrahedra. In the second I1- site, I1- is bonded to four Cu1+ atoms to form corner-sharing ICu4 tetrahedra. In the third I1- site, I1- is bonded to four Cu1+ atoms to form corner-sharing ICu4 tetrahedra. In the fourth I1- site, I1- is bonded to four Cu1+ atoms to form corner-sharing ICu4 tetrahedra.},
doi = {10.17188/1206370},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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