U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiPN2 by Materials Project
Abstract
LiPN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent PN4 tetrahedra. All Li–N bond lengths are 2.11 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All P–N bond lengths are 1.65 Å. N3- is bonded to two equivalent Li1+ and two equivalent P5+ atoms to form distorted corner-sharing NLi2P2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-3524
- 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; Li-N-P; LiPN2; crystal structure
- OSTI Identifier:
- 1206965
- DOI:
- https://doi.org/10.17188/1206965
Citation Formats
Materials Data on LiPN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206965.
Materials Data on LiPN2 by Materials Project. United States. doi:https://doi.org/10.17188/1206965
2020.
"Materials Data on LiPN2 by Materials Project". United States. doi:https://doi.org/10.17188/1206965. https://www.osti.gov/servlets/purl/1206965. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1206965,
title = {Materials Data on LiPN2 by Materials Project},
abstractNote = {LiPN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form distorted LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent PN4 tetrahedra. All Li–N bond lengths are 2.11 Å. P5+ is bonded to four equivalent N3- atoms to form PN4 tetrahedra that share corners with four equivalent PN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All P–N bond lengths are 1.65 Å. N3- is bonded to two equivalent Li1+ and two equivalent P5+ atoms to form distorted corner-sharing NLi2P2 trigonal pyramids.},
doi = {10.17188/1206965},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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