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Title: Materials Data on Ca3N2 by Materials Project

Abstract

Ca3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are two shorter (2.42 Å) and two longer (2.54 Å) Ca–N bond lengths. N3- is bonded to six equivalent Ca2+ atoms to form a mixture of distorted edge, corner, and face-sharing NCa6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°.

Authors:
Publication Date:
Other Number(s):
mp-1047
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ca3N2; Ca-N
OSTI Identifier:
1187142
DOI:
https://doi.org/10.17188/1187142

Citation Formats

The Materials Project. Materials Data on Ca3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187142.
The Materials Project. Materials Data on Ca3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1187142
The Materials Project. 2020. "Materials Data on Ca3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1187142. https://www.osti.gov/servlets/purl/1187142. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187142,
title = {Materials Data on Ca3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are two shorter (2.42 Å) and two longer (2.54 Å) Ca–N bond lengths. N3- is bonded to six equivalent Ca2+ atoms to form a mixture of distorted edge, corner, and face-sharing NCa6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°.},
doi = {10.17188/1187142},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}