Materials Data on Ni20(SnB2)3 by Materials Project

doi:10.17188/1204196

Title: Materials Data on Ni20(SnB2)3 by Materials Project

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Abstract

Ni20(B2Sn)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to two equivalent B and one Sn atom. Both Ni–B bond lengths are 2.14 Å. The Ni–Sn bond length is 2.58 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent B and one Sn atom. All Ni–B bond lengths are 2.09 Å. The Ni–Sn bond length is 2.51 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms.

Publication Date:: 2020-07-23

Other Number(s):: mp-29724

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Ni-Sn; Ni20(SnB2)3; crystal structure

OSTI Identifier:: 1204196

DOI:: https://doi.org/10.17188/1204196

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                    Materials Data on Ni20(SnB2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204196.

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                    Materials Data on Ni20(SnB2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204196

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                    2020.  
"Materials Data on Ni20(SnB2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204196.  https://www.osti.gov/servlets/purl/1204196. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1204196,

  title        = {Materials Data on Ni20(SnB2)3 by Materials Project},

  
  abstractNote = {Ni20(B2Sn)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to two equivalent B and one Sn atom. Both Ni–B bond lengths are 2.14 Å. The Ni–Sn bond length is 2.58 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent B and one Sn atom. All Ni–B bond lengths are 2.09 Å. The Ni–Sn bond length is 2.51 Å. B is bonded in a 8-coordinate geometry to eight Ni atoms. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms.},

  doi          = {10.17188/1204196},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1204196

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