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

Abstract

Ca(TiN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(TiN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Ca–N bond lengths are 2.32 Å. Ti2+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both Ti–N bond lengths are 1.91 Å. N3- is bonded to two equivalent Ca2+ and two equivalent Ti2+ atoms to form corner-sharing NCa2Ti2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mvc-13408
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; Ca(TiN)2; Ca-N-Ti
OSTI Identifier:
1318877
DOI:
https://doi.org/10.17188/1318877

Citation Formats

The Materials Project. Materials Data on Ca(TiN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318877.
The Materials Project. Materials Data on Ca(TiN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1318877
The Materials Project. 2020. "Materials Data on Ca(TiN)2 by Materials Project". United States. doi:https://doi.org/10.17188/1318877. https://www.osti.gov/servlets/purl/1318877. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1318877,
title = {Materials Data on Ca(TiN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(TiN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(TiN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Ca–N bond lengths are 2.32 Å. Ti2+ is bonded in a bent 120 degrees geometry to two equivalent N3- atoms. Both Ti–N bond lengths are 1.91 Å. N3- is bonded to two equivalent Ca2+ and two equivalent Ti2+ atoms to form corner-sharing NCa2Ti2 tetrahedra.},
doi = {10.17188/1318877},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}