Materials Data on SiNi2 by Materials Project

doi:10.17188/1187614

Title: Materials Data on SiNi2 by Materials Project

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Abstract

Ni2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 4-coordinate geometry to five equivalent Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.72 Å. In the second Ni2+ site, Ni2+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NiSi5 square pyramids. There are a spread of Ni–Si bond distances ranging from 2.34–2.58 Å. Si4- is bonded in a 10-coordinate geometry to ten Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1118

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; SiNi2; Ni-Si

OSTI Identifier:: 1187614

DOI:: https://doi.org/10.17188/1187614

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                    The Materials Project. Materials Data on SiNi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187614.

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                    The Materials Project. Materials Data on SiNi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187614

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                    The Materials Project. 2020.  
"Materials Data on SiNi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187614.  https://www.osti.gov/servlets/purl/1187614. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187614,

  title        = {Materials Data on SiNi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a 4-coordinate geometry to five equivalent Si4- atoms. There are a spread of Ni–Si bond distances ranging from 2.31–2.72 Å. In the second Ni2+ site, Ni2+ is bonded to five equivalent Si4- atoms to form a mixture of distorted edge and corner-sharing NiSi5 square pyramids. There are a spread of Ni–Si bond distances ranging from 2.34–2.58 Å. Si4- is bonded in a 10-coordinate geometry to ten Ni2+ atoms.},

  doi          = {10.17188/1187614},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187614

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