Materials Data on Nb6Si7Ni16 by Materials Project

doi:10.17188/1207176

Title: Materials Data on Nb6Si7Ni16 by Materials Project

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Abstract

Nb6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Nb–Si bond lengths are 2.86 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.30 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. There are one shorter (2.27 Å) and three longer (2.50 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms. In the second Si4- site, Si4- is bonded to four equivalent Nb2+ and eight Ni1+ atoms to form a mixture of face and corner-sharing SiNb4Ni8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-3640

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; Nb6Si7Ni16; Nb-Ni-Si

OSTI Identifier:: 1207176

DOI:: https://doi.org/10.17188/1207176

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                    The Materials Project. Materials Data on Nb6Si7Ni16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207176.

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                    The Materials Project. Materials Data on Nb6Si7Ni16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207176

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                    The Materials Project. 2020.  
"Materials Data on Nb6Si7Ni16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207176.  https://www.osti.gov/servlets/purl/1207176. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1207176,

  title        = {Materials Data on Nb6Si7Ni16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb2+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms. All Nb–Si bond lengths are 2.86 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Ni–Si bond lengths are 2.30 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. There are one shorter (2.27 Å) and three longer (2.50 Å) Ni–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight equivalent Ni1+ atoms. In the second Si4- site, Si4- is bonded to four equivalent Nb2+ and eight Ni1+ atoms to form a mixture of face and corner-sharing SiNb4Ni8 cuboctahedra.},

  doi          = {10.17188/1207176},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207176

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