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Title: Materials Data on Cu(IN3)2 by Materials Project

Abstract

CuI2N6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu2+ is bonded to six equivalent N atoms to form CuN6 octahedra that share faces with eight equivalent IN12 cuboctahedra. All Cu–N bond lengths are 1.86 Å. N is bonded in a single-bond geometry to one Cu2+ and four equivalent I1- atoms. All N–I bond lengths are 2.66 Å. I1- is bonded to twelve equivalent N atoms to form IN12 cuboctahedra that share corners with twelve equivalent IN12 cuboctahedra, faces with six equivalent IN12 cuboctahedra, and faces with four equivalent CuN6 octahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1205922
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; Cu(IN3)2; Cu-I-N
OSTI Identifier:
1715546
DOI:
10.17188/1715546

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cu(IN3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1715546.
Persson, Kristin, & Project, Materials. Materials Data on Cu(IN3)2 by Materials Project. United States. doi:10.17188/1715546.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cu(IN3)2 by Materials Project". United States. doi:10.17188/1715546. https://www.osti.gov/servlets/purl/1715546. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1715546,
title = {Materials Data on Cu(IN3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuI2N6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cu2+ is bonded to six equivalent N atoms to form CuN6 octahedra that share faces with eight equivalent IN12 cuboctahedra. All Cu–N bond lengths are 1.86 Å. N is bonded in a single-bond geometry to one Cu2+ and four equivalent I1- atoms. All N–I bond lengths are 2.66 Å. I1- is bonded to twelve equivalent N atoms to form IN12 cuboctahedra that share corners with twelve equivalent IN12 cuboctahedra, faces with six equivalent IN12 cuboctahedra, and faces with four equivalent CuN6 octahedra.},
doi = {10.17188/1715546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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