Materials Data on Th6NiBr15 by Materials Project

doi:10.17188/1677031

Title: Materials Data on Th6NiBr15 by Materials Project

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Abstract

Th6NiBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6NiBr15 frameworks. Th is bonded to one Ni and five Br atoms to form a mixture of edge and corner-sharing ThNiBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Ni bond length is 2.82 Å. There are four shorter (2.94 Å) and one longer (3.08 Å) Th–Br bond lengths. Ni is bonded in an octahedral geometry to six equivalent Th atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two equivalent Th atoms. In the second Br site, Br is bonded in an L-shaped geometry to two equivalent Th atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1208385

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; Th6NiBr15; Br-Ni-Th

OSTI Identifier:: 1677031

DOI:: https://doi.org/10.17188/1677031

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                    The Materials Project. Materials Data on Th6NiBr15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677031.

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                    The Materials Project. Materials Data on Th6NiBr15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677031

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                    The Materials Project. 2020.  
"Materials Data on Th6NiBr15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677031.  https://www.osti.gov/servlets/purl/1677031. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1677031,

  title        = {Materials Data on Th6NiBr15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th6NiBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6NiBr15 frameworks. Th is bonded to one Ni and five Br atoms to form a mixture of edge and corner-sharing ThNiBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Ni bond length is 2.82 Å. There are four shorter (2.94 Å) and one longer (3.08 Å) Th–Br bond lengths. Ni is bonded in an octahedral geometry to six equivalent Th atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a linear geometry to two equivalent Th atoms. In the second Br site, Br is bonded in an L-shaped geometry to two equivalent Th atoms.},

  doi          = {10.17188/1677031},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1677031

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