Materials Data on Ga3(Ni10B3)2 by Materials Project

doi:10.17188/1315557

Title: Materials Data on Ga3(Ni10B3)2 by Materials Project

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Abstract

Ga3(Ni10B3)2 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 2-coordinate geometry to one Ga and two equivalent B atoms. The Ni–Ga bond length is 2.50 Å. Both Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded to one Ga and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiGaB3 tetrahedra. The Ni–Ga bond length is 2.41 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. In the second Ga site, Ga is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-977324

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; Ga3(Ni10B3)2; B-Ga-Ni

OSTI Identifier:: 1315557

DOI:: https://doi.org/10.17188/1315557

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                    The Materials Project. Materials Data on Ga3(Ni10B3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315557.

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                    The Materials Project. Materials Data on Ga3(Ni10B3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1315557

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                    The Materials Project. 2020.  
"Materials Data on Ga3(Ni10B3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1315557.  https://www.osti.gov/servlets/purl/1315557. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1315557,

  title        = {Materials Data on Ga3(Ni10B3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ga3(Ni10B3)2 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 2-coordinate geometry to one Ga and two equivalent B atoms. The Ni–Ga bond length is 2.50 Å. Both Ni–B bond lengths are 2.10 Å. In the second Ni site, Ni is bonded to one Ga and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiGaB3 tetrahedra. The Ni–Ga bond length is 2.41 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. In the second Ga site, Ga is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.},

  doi          = {10.17188/1315557},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1315557

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