Materials Data on U2(Ni7B2)3 by Materials Project

doi:10.17188/1186661

Title: Materials Data on U2(Ni7B2)3 by Materials Project

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Abstract

U2Ni21B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All U–Ni bond lengths are 2.49 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. The Ni–Ni bond length is 2.56 Å. Both Ni–B bond lengths are 2.07 Å. In the second Ni site, Ni is bonded to one U and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiUB3 tetrahedra. All Ni–B bond lengths are 2.14 Å. In the third Ni site, Ni 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:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-10130

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; U2(Ni7B2)3; B-Ni-U

OSTI Identifier:: 1186661

DOI:: https://doi.org/10.17188/1186661

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                    The Materials Project. Materials Data on U2(Ni7B2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1186661.

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                    The Materials Project. Materials Data on U2(Ni7B2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1186661

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                    The Materials Project. 2020.  
"Materials Data on U2(Ni7B2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1186661.  https://www.osti.gov/servlets/purl/1186661. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1186661,

  title        = {Materials Data on U2(Ni7B2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2Ni21B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded in a distorted tetrahedral geometry to four equivalent Ni atoms. All U–Ni bond lengths are 2.49 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 150 degrees geometry to one Ni and two equivalent B atoms. The Ni–Ni bond length is 2.56 Å. Both Ni–B bond lengths are 2.07 Å. In the second Ni site, Ni is bonded to one U and three equivalent B atoms to form a mixture of distorted corner and edge-sharing NiUB3 tetrahedra. All Ni–B bond lengths are 2.14 Å. In the third Ni site, Ni is bonded in a cuboctahedral geometry to twelve equivalent Ni atoms. B is bonded in a 8-coordinate geometry to eight Ni atoms.},

  doi          = {10.17188/1186661},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1186661

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