Materials Data on Si3NiP4 by Materials Project

doi:10.17188/1308029

Title: Materials Data on Si3NiP4 by Materials Project

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Abstract

NiSi3P4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of two nickel molecules and one Si3P4 framework. In the Si3P4 framework, there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.27 Å. P+2.50+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-8311

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; Si3NiP4; Ni-P-Si

OSTI Identifier:: 1308029

DOI:: https://doi.org/10.17188/1308029

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                    The Materials Project. Materials Data on Si3NiP4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308029.

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                    The Materials Project. Materials Data on Si3NiP4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308029

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                    The Materials Project. 2020.  
"Materials Data on Si3NiP4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308029.  https://www.osti.gov/servlets/purl/1308029. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1308029,

  title        = {Materials Data on Si3NiP4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiSi3P4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional and consists of two nickel molecules and one Si3P4 framework. In the Si3P4 framework, there are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.29 Å. In the second Si4- site, Si4- is bonded to four equivalent P+2.50+ atoms to form corner-sharing SiP4 tetrahedra. All Si–P bond lengths are 2.27 Å. P+2.50+ is bonded in a trigonal non-coplanar geometry to three Si4- atoms.},

  doi          = {10.17188/1308029},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1308029

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