U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si2NiP3 by Materials Project
Abstract
NiSi2P3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional and consists of two nickel molecules and one Si2P3 framework. In the Si2P3 framework, Si4- is bonded to four P+2.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.26–2.29 Å. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. In the second P+2.33+ site, P+2.33+ is bonded in a trigonal non-coplanar geometry to three equivalent Si4- atoms.
- Publication Date:
- Other Number(s):
- mp-28945
- 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; Ni-P-Si; Si2NiP3; crystal structure
- OSTI Identifier:
- 1203011
- DOI:
- https://doi.org/10.17188/1203011
Citation Formats
Materials Data on Si2NiP3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203011.
Materials Data on Si2NiP3 by Materials Project. United States. doi:https://doi.org/10.17188/1203011
2020.
"Materials Data on Si2NiP3 by Materials Project". United States. doi:https://doi.org/10.17188/1203011. https://www.osti.gov/servlets/purl/1203011. Pub date:Fri Jul 17 04:00:00 UTC 2020
@article{osti_1203011,
title = {Materials Data on Si2NiP3 by Materials Project},
abstractNote = {NiSi2P3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional and consists of two nickel molecules and one Si2P3 framework. In the Si2P3 framework, Si4- is bonded to four P+2.33+ atoms to form corner-sharing SiP4 tetrahedra. There are a spread of Si–P bond distances ranging from 2.26–2.29 Å. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. In the second P+2.33+ site, P+2.33+ is bonded in a trigonal non-coplanar geometry to three equivalent Si4- atoms.},
doi = {10.17188/1203011},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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