Materials Data on Si2NiP3 by Materials Project

doi:10.17188/1203011

Title: Materials Data on Si2NiP3 by Materials Project

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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.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-28945

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; Si2NiP3; Ni-P-Si

OSTI Identifier:: 1203011

DOI:: https://doi.org/10.17188/1203011

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                    The Materials Project. Materials Data on Si2NiP3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203011.

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                    The Materials Project. Materials Data on Si2NiP3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203011

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                    The Materials Project. 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 00:00:00 EDT 2020

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@article{osti_1203011,

  title        = {Materials Data on Si2NiP3 by Materials Project},

  author       = {The 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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DOI: https://doi.org/10.17188/1203011

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