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Title: Materials Data on CaNiN by Materials Project

Abstract

CaNiN crystallizes in the tetragonal P4_2/mmc 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 tetrahedra. All Ca–N bond lengths are 2.51 Å. Ni1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.78 Å. N3- is bonded to four equivalent Ca2+ and two equivalent Ni1+ atoms to form a mixture of edge and corner-sharing NCa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:
Publication Date:
Other Number(s):
mp-28645
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; CaNiN; Ca-N-Ni
OSTI Identifier:
1202730
DOI:
https://doi.org/10.17188/1202730

Citation Formats

The Materials Project. Materials Data on CaNiN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202730.
The Materials Project. Materials Data on CaNiN by Materials Project. United States. doi:https://doi.org/10.17188/1202730
The Materials Project. 2020. "Materials Data on CaNiN by Materials Project". United States. doi:https://doi.org/10.17188/1202730. https://www.osti.gov/servlets/purl/1202730. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202730,
title = {Materials Data on CaNiN by Materials Project},
author = {The Materials Project},
abstractNote = {CaNiN crystallizes in the tetragonal P4_2/mmc 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 tetrahedra. All Ca–N bond lengths are 2.51 Å. Ni1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.78 Å. N3- is bonded to four equivalent Ca2+ and two equivalent Ni1+ atoms to form a mixture of edge and corner-sharing NCa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1202730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}