Materials Data on Ca3N2 by Materials Project
Abstract
Ca3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are two shorter (2.42 Å) and two longer (2.54 Å) Ca–N bond lengths. N3- is bonded to six equivalent Ca2+ atoms to form a mixture of distorted edge, corner, and face-sharing NCa6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1047
- 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; Ca3N2; Ca-N
- OSTI Identifier:
- 1187142
- DOI:
- https://doi.org/10.17188/1187142
Citation Formats
The Materials Project. Materials Data on Ca3N2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187142.
The Materials Project. Materials Data on Ca3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1187142
The Materials Project. 2020.
"Materials Data on Ca3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1187142. https://www.osti.gov/servlets/purl/1187142. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187142,
title = {Materials Data on Ca3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 trigonal pyramids. There are two shorter (2.42 Å) and two longer (2.54 Å) Ca–N bond lengths. N3- is bonded to six equivalent Ca2+ atoms to form a mixture of distorted edge, corner, and face-sharing NCa6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°.},
doi = {10.17188/1187142},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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