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

Abstract

Ca(CuN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(CuN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.41 Å. Cu2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.81 Å. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Cu2+ atoms.

Publication Date:
Other Number(s):
mvc-13426
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; Ca(CuN)2; Ca-Cu-N
OSTI Identifier:
1318885
DOI:
https://doi.org/10.17188/1318885

Citation Formats

The Materials Project. Materials Data on Ca(CuN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318885.
The Materials Project. Materials Data on Ca(CuN)2 by Materials Project. United States. doi:https://doi.org/10.17188/1318885
The Materials Project. 2020. "Materials Data on Ca(CuN)2 by Materials Project". United States. doi:https://doi.org/10.17188/1318885. https://www.osti.gov/servlets/purl/1318885. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318885,
title = {Materials Data on Ca(CuN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(CuN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(CuN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.41 Å. Cu2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.81 Å. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Cu2+ atoms.},
doi = {10.17188/1318885},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}