U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaCN2 by Materials Project
Abstract
CaCN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent N3- atoms to form edge-sharing CaN6 octahedra. All Ca–N bond lengths are 2.48 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded to three equivalent Ca2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NCa3C tetrahedra.
- Publication Date:
- Other Number(s):
- mp-4124
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-Ca-N; CaCN2; crystal structure
- OSTI Identifier:
- 1207876
- DOI:
- https://doi.org/10.17188/1207876
Citation Formats
Materials Data on CaCN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207876.
Materials Data on CaCN2 by Materials Project. United States. doi:https://doi.org/10.17188/1207876
2020.
"Materials Data on CaCN2 by Materials Project". United States. doi:https://doi.org/10.17188/1207876. https://www.osti.gov/servlets/purl/1207876. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207876,
title = {Materials Data on CaCN2 by Materials Project},
abstractNote = {CaCN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent N3- atoms to form edge-sharing CaN6 octahedra. All Ca–N bond lengths are 2.48 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded to three equivalent Ca2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NCa3C tetrahedra.},
doi = {10.17188/1207876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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