Materials Data on Ca(SiNi)2 by Materials Project

doi:10.17188/1263184

Title: Materials Data on Ca(SiNi)2 by Materials Project

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Abstract

Ca(NiSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ca–Si bond lengths are 3.08 Å. Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni3+, and one Si4- atom. The Si–Si bond length is 2.50 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-5292

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; Ca(SiNi)2; Ca-Ni-Si

OSTI Identifier:: 1263184

DOI:: https://doi.org/10.17188/1263184

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                    The Materials Project. Materials Data on Ca(SiNi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263184.

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                    The Materials Project. Materials Data on Ca(SiNi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263184

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                    The Materials Project. 2020.  
"Materials Data on Ca(SiNi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263184.  https://www.osti.gov/servlets/purl/1263184. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1263184,

  title        = {Materials Data on Ca(SiNi)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca(NiSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Ca–Si bond lengths are 3.08 Å. Ni3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.31 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni3+, and one Si4- atom. The Si–Si bond length is 2.50 Å.},

  doi          = {10.17188/1263184},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1263184

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