Materials Data on Th6CoBr15 by Materials Project

doi:10.17188/1202293

Title: Materials Data on Th6CoBr15 by Materials Project

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Abstract

Th6CoBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6CoBr15 frameworks. Th is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing ThCoBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Co bond length is 2.79 Å. There are four shorter (2.93 Å) and one longer (3.09 Å) Th–Br bond lengths. Co 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 an L-shaped geometry to two equivalent Th atoms. In the second Br site, Br is bonded in a linear geometry to two equivalent Th atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1202293

Report Number(s):: mp-28167

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Th6CoBr15; Br-Co-Th

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                    The Materials Project. Materials Data on Th6CoBr15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202293.

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                    The Materials Project. Materials Data on Th6CoBr15 by Materials Project.  United States.  https://doi.org/10.17188/1202293

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                    The Materials Project. 2020.  
        "Materials Data on Th6CoBr15 by Materials Project".  United States.  https://doi.org/10.17188/1202293.  https://www.osti.gov/servlets/purl/1202293.

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@article{osti_1202293,

  title        = {Materials Data on Th6CoBr15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Th6CoBr15 crystallizes in the cubic Im-3m space group. The structure is three-dimensional and consists of two Th6CoBr15 frameworks. Th is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing ThCoBr5 octahedra. The corner-sharing octahedral tilt angles are 0°. The Th–Co bond length is 2.79 Å. There are four shorter (2.93 Å) and one longer (3.09 Å) Th–Br bond lengths. Co 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 an L-shaped geometry to two equivalent Th atoms. In the second Br site, Br is bonded in a linear geometry to two equivalent Th atoms.},

  doi          = {10.17188/1202293},

  url          = {https://www.osti.gov/biblio/1202293},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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