Materials Data on Cr6Si7Ni16 by Materials Project

doi:10.17188/1266326

Title: Materials Data on Cr6Si7Ni16 by Materials Project

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Abstract

Cr6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Cr–Si bond lengths are 2.85 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 2.26 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.44 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 Cr2+ and eight Ni1+ atoms to form a mixture of distorted corner and face-sharing SiCr4Ni8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-541940

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; Cr6Si7Ni16; Cr-Ni-Si

OSTI Identifier:: 1266326

DOI:: https://doi.org/10.17188/1266326

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                    The Materials Project. Materials Data on Cr6Si7Ni16 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266326.

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                    The Materials Project. Materials Data on Cr6Si7Ni16 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266326

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                    The Materials Project. 2020.  
"Materials Data on Cr6Si7Ni16 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266326.  https://www.osti.gov/servlets/purl/1266326. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1266326,

  title        = {Materials Data on Cr6Si7Ni16 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr6Ni16Si7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Cr–Si bond lengths are 2.85 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 2.26 Å. In the second Ni1+ site, Ni1+ is bonded to four Si4- atoms to form a mixture of corner and edge-sharing NiSi4 tetrahedra. There are one shorter (2.25 Å) and three longer (2.44 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 Cr2+ and eight Ni1+ atoms to form a mixture of distorted corner and face-sharing SiCr4Ni8 cuboctahedra.},

  doi          = {10.17188/1266326},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266326

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