U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaN6 by Materials Project
Abstract
CaN6 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent N+0.33- atoms. There are four shorter (2.57 Å) and four longer (2.63 Å) Ca–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.
- Publication Date:
- Other Number(s):
- mp-676
- 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; Ca-N; CaN6; crystal structure
- OSTI Identifier:
- 1282202
- DOI:
- https://doi.org/10.17188/1282202
Citation Formats
Materials Data on CaN6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282202.
Materials Data on CaN6 by Materials Project. United States. doi:https://doi.org/10.17188/1282202
2020.
"Materials Data on CaN6 by Materials Project". United States. doi:https://doi.org/10.17188/1282202. https://www.osti.gov/servlets/purl/1282202. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1282202,
title = {Materials Data on CaN6 by Materials Project},
abstractNote = {CaN6 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent N+0.33- atoms. There are four shorter (2.57 Å) and four longer (2.63 Å) Ca–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a trigonal planar geometry to two equivalent Ca2+ and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.},
doi = {10.17188/1282202},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.