Materials Data on U2NiSb4 by Materials Project

doi:10.17188/1653062

Title: Materials Data on U2NiSb4 by Materials Project

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Abstract

U2NiSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. U5+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.15–3.38 Å. Ni2+ is bonded to four equivalent Sb3- atoms to form corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.55 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.07 Å. In the second Sb3- site, Sb3- is bonded in a 7-coordinate geometry to five equivalent U5+ and two equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1216654

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; U2NiSb4; Ni-Sb-U

OSTI Identifier:: 1653062

DOI:: https://doi.org/10.17188/1653062

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                    The Materials Project. Materials Data on U2NiSb4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653062.

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                    The Materials Project. Materials Data on U2NiSb4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653062

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                    The Materials Project. 2020.  
"Materials Data on U2NiSb4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653062.  https://www.osti.gov/servlets/purl/1653062. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1653062,

  title        = {Materials Data on U2NiSb4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2NiSb4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. U5+ is bonded in a 9-coordinate geometry to nine Sb3- atoms. There are a spread of U–Sb bond distances ranging from 3.15–3.38 Å. Ni2+ is bonded to four equivalent Sb3- atoms to form corner-sharing NiSb4 tetrahedra. All Ni–Sb bond lengths are 2.55 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.07 Å. In the second Sb3- site, Sb3- is bonded in a 7-coordinate geometry to five equivalent U5+ and two equivalent Ni2+ atoms.},

  doi          = {10.17188/1653062},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1653062

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