Materials Data on Zn3(Ni10B3)2 by Materials Project

doi:10.17188/1186662

Title: Materials Data on Zn3(Ni10B3)2 by Materials Project

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Abstract

Zn3(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 Zn and two equivalent B atoms. The Ni–Zn bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded to one Zn and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiZnB3 tetrahedra. The Ni–Zn bond length is 2.42 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-10131

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; Zn3(Ni10B3)2; B-Ni-Zn

OSTI Identifier:: 1186662

DOI:: https://doi.org/10.17188/1186662

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                    The Materials Project. Materials Data on Zn3(Ni10B3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186662.

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                    The Materials Project. Materials Data on Zn3(Ni10B3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186662

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                    The Materials Project. 2020.  
"Materials Data on Zn3(Ni10B3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186662.  https://www.osti.gov/servlets/purl/1186662. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1186662,

  title        = {Materials Data on Zn3(Ni10B3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn3(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 Zn and two equivalent B atoms. The Ni–Zn bond length is 2.51 Å. Both Ni–B bond lengths are 2.09 Å. In the second Ni site, Ni is bonded to one Zn and three equivalent B atoms to form a mixture of distorted edge and corner-sharing NiZnB3 tetrahedra. The Ni–Zn bond length is 2.42 Å. All Ni–B bond lengths are 2.07 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.},

  doi          = {10.17188/1186662},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1186662

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