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Title: Materials Data on CaCN2 by Materials Project

Abstract

CaCN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent N3- atoms to form edge-sharing CaN6 octahedra. All Ca–N bond lengths are 2.48 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded to three equivalent Ca2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NCa3C tetrahedra.

Publication Date:
Other Number(s):
mp-4124
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; CaCN2; C-Ca-N
OSTI Identifier:
1207876
DOI:
https://doi.org/10.17188/1207876

Citation Formats

The Materials Project. Materials Data on CaCN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207876.
The Materials Project. Materials Data on CaCN2 by Materials Project. United States. doi:https://doi.org/10.17188/1207876
The Materials Project. 2020. "Materials Data on CaCN2 by Materials Project". United States. doi:https://doi.org/10.17188/1207876. https://www.osti.gov/servlets/purl/1207876. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207876,
title = {Materials Data on CaCN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaCN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent N3- atoms to form edge-sharing CaN6 octahedra. All Ca–N bond lengths are 2.48 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded to three equivalent Ca2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NCa3C tetrahedra.},
doi = {10.17188/1207876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}