U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaSi2N3 by Materials Project
Abstract
NaSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.42–2.61 Å. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There is one shorter (1.69 Å) and three longer (1.78 Å) Si–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent Na1+ and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded to one Na1+ and three equivalent Si4+ atoms to form distorted corner-sharing NNaSi3 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-8973
- 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; N-Na-Si; NaSi2N3; crystal structure
- OSTI Identifier:
- 1312873
- DOI:
- https://doi.org/10.17188/1312873
Citation Formats
Materials Data on NaSi2N3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312873.
Materials Data on NaSi2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1312873
2020.
"Materials Data on NaSi2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1312873. https://www.osti.gov/servlets/purl/1312873. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1312873,
title = {Materials Data on NaSi2N3 by Materials Project},
abstractNote = {NaSi2N3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.42–2.61 Å. Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There is one shorter (1.69 Å) and three longer (1.78 Å) Si–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent Na1+ and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded to one Na1+ and three equivalent Si4+ atoms to form distorted corner-sharing NNaSi3 trigonal pyramids.},
doi = {10.17188/1312873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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