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Title: Materials Data on Ca(NiN)2 by Materials Project

Abstract

Ca(NiN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(NiN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form distorted corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.43 Å. Ni2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.73 Å. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Ni2+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1318321
Report Number(s):
mvc-11775
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ca(NiN)2; Ca-N-Ni

Citation Formats

The Materials Project. Materials Data on Ca(NiN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318321.
The Materials Project. Materials Data on Ca(NiN)2 by Materials Project. United States. https://doi.org/10.17188/1318321
The Materials Project. 2020. "Materials Data on Ca(NiN)2 by Materials Project". United States. https://doi.org/10.17188/1318321. https://www.osti.gov/servlets/purl/1318321.
@article{osti_1318321,
title = {Materials Data on Ca(NiN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(NiN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(NiN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form distorted corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.43 Å. Ni2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.73 Å. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Ni2+ atoms.},
doi = {10.17188/1318321},
url = {https://www.osti.gov/biblio/1318321}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}