DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Zr2CN by Materials Project

Abstract

Zr2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing ZrC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–C bond lengths are 2.33 Å. All Zr–N bond lengths are 2.35 Å. C4- is bonded to six equivalent Zr+3.50+ atoms to form CZr6 octahedra that share corners with six equivalent NZr6 octahedra, edges with six equivalent CZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 1°. N3- is bonded to six equivalent Zr+3.50+ atoms to form NZr6 octahedra that share corners with six equivalent CZr6 octahedra, edges with six equivalent CZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 1°.

Authors:
Publication Date:
Other Number(s):
mp-1215592
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; Zr2CN; C-N-Zr
OSTI Identifier:
1736386
DOI:
https://doi.org/10.17188/1736386

Citation Formats

The Materials Project. Materials Data on Zr2CN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1736386.
The Materials Project. Materials Data on Zr2CN by Materials Project. United States. doi:https://doi.org/10.17188/1736386
The Materials Project. 2020. "Materials Data on Zr2CN by Materials Project". United States. doi:https://doi.org/10.17188/1736386. https://www.osti.gov/servlets/purl/1736386. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1736386,
title = {Materials Data on Zr2CN by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing ZrC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–C bond lengths are 2.33 Å. All Zr–N bond lengths are 2.35 Å. C4- is bonded to six equivalent Zr+3.50+ atoms to form CZr6 octahedra that share corners with six equivalent NZr6 octahedra, edges with six equivalent CZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 1°. N3- is bonded to six equivalent Zr+3.50+ atoms to form NZr6 octahedra that share corners with six equivalent CZr6 octahedra, edges with six equivalent CZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 1°.},
doi = {10.17188/1736386},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}