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Title: Materials Data on Ca3CoN3 by Materials Project

Abstract

Ca3CoN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ca2+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing CaN5 trigonal bipyramids. There are a spread of Ca–N bond distances ranging from 2.44–2.63 Å. Co3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Co–N bond lengths are 1.77 Å. N3- is bonded to five equivalent Ca2+ and one Co3+ atom to form a mixture of distorted edge and corner-sharing NCa5Co octahedra. The corner-sharing octahedra tilt angles range from 12–49°.

Publication Date:
Other Number(s):
mp-1029610
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; Ca3CoN3; Ca-Co-N
OSTI Identifier:
1651910
DOI:
https://doi.org/10.17188/1651910

Citation Formats

The Materials Project. Materials Data on Ca3CoN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651910.
The Materials Project. Materials Data on Ca3CoN3 by Materials Project. United States. doi:https://doi.org/10.17188/1651910
The Materials Project. 2020. "Materials Data on Ca3CoN3 by Materials Project". United States. doi:https://doi.org/10.17188/1651910. https://www.osti.gov/servlets/purl/1651910. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1651910,
title = {Materials Data on Ca3CoN3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3CoN3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ca2+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing CaN5 trigonal bipyramids. There are a spread of Ca–N bond distances ranging from 2.44–2.63 Å. Co3+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Co–N bond lengths are 1.77 Å. N3- is bonded to five equivalent Ca2+ and one Co3+ atom to form a mixture of distorted edge and corner-sharing NCa5Co octahedra. The corner-sharing octahedra tilt angles range from 12–49°.},
doi = {10.17188/1651910},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}