U.S. Department of EnergyOffice of Scientific and Technical Information
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}
}