U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaNiN by Materials Project
Abstract
CaNiN crystallizes in the tetragonal P4_2/mmc 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 tetrahedra. All Ca–N bond lengths are 2.51 Å. Ni1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.78 Å. N3- is bonded to four equivalent Ca2+ and two equivalent Ni1+ atoms to form a mixture of edge and corner-sharing NCa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-28645
- 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-Ni; CaNiN; crystal structure
- OSTI Identifier:
- 1202730
- DOI:
- https://doi.org/10.17188/1202730
Citation Formats
Materials Data on CaNiN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202730.
Materials Data on CaNiN by Materials Project. United States. doi:https://doi.org/10.17188/1202730
2020.
"Materials Data on CaNiN by Materials Project". United States. doi:https://doi.org/10.17188/1202730. https://www.osti.gov/servlets/purl/1202730. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202730,
title = {Materials Data on CaNiN by Materials Project},
abstractNote = {CaNiN crystallizes in the tetragonal P4_2/mmc 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 tetrahedra. All Ca–N bond lengths are 2.51 Å. Ni1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.78 Å. N3- is bonded to four equivalent Ca2+ and two equivalent Ni1+ atoms to form a mixture of edge and corner-sharing NCa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1202730},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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