Materials Data on TaSiNi by Materials Project

doi:10.17188/1694771

Title: Materials Data on TaSiNi by Materials Project

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Abstract

Ni(Ta)Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta3+ is bonded to five equivalent Si4- atoms to form distorted TaSi5 trigonal bipyramids that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TaSi5 trigonal bipyramids, edges with six equivalent NiSi4 tetrahedra, and edges with six equivalent TaSi5 trigonal bipyramids. There are a spread of Ta–Si bond distances ranging from 2.63–2.66 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TaSi5 trigonal bipyramids, edges with two equivalent NiSi4 tetrahedra, and edges with six equivalent TaSi5 trigonal bipyramids. There are a spread of Ni–Si bond distances ranging from 2.30–2.36 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ta3+ and four equivalent Ni1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1208557

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; TaSiNi; Ni-Si-Ta

OSTI Identifier:: 1694771

DOI:: https://doi.org/10.17188/1694771

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                    The Materials Project. Materials Data on TaSiNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1694771.

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                    The Materials Project. Materials Data on TaSiNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1694771

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                    The Materials Project. 2020.  
"Materials Data on TaSiNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1694771.  https://www.osti.gov/servlets/purl/1694771. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1694771,

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

  author       = {The Materials Project},

  abstractNote = {Ni(Ta)Si crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta3+ is bonded to five equivalent Si4- atoms to form distorted TaSi5 trigonal bipyramids that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TaSi5 trigonal bipyramids, edges with six equivalent NiSi4 tetrahedra, and edges with six equivalent TaSi5 trigonal bipyramids. There are a spread of Ta–Si bond distances ranging from 2.63–2.66 Å. Ni1+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent TaSi5 trigonal bipyramids, edges with two equivalent NiSi4 tetrahedra, and edges with six equivalent TaSi5 trigonal bipyramids. There are a spread of Ni–Si bond distances ranging from 2.30–2.36 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Ta3+ and four equivalent Ni1+ atoms.},

  doi          = {10.17188/1694771},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1694771

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