Materials Data on K2ReBr6 by Materials Project

doi:10.17188/1199172

Title: Materials Data on K2ReBr6 by Materials Project

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Abstract

K2ReBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, and faces with four equivalent ReBr6 octahedra. All K–Br bond lengths are 3.78 Å. Re4+ is bonded to six equivalent Br1- atoms to form ReBr6 octahedra that share faces with eight equivalent KBr12 cuboctahedra. All Re–Br bond lengths are 2.54 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Re4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-23021

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; K2ReBr6; Br-K-Re

OSTI Identifier:: 1199172

DOI:: https://doi.org/10.17188/1199172

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                    The Materials Project. Materials Data on K2ReBr6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199172.

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                    The Materials Project. Materials Data on K2ReBr6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199172

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                    The Materials Project. 2020.  
"Materials Data on K2ReBr6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199172.  https://www.osti.gov/servlets/purl/1199172. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199172,

  title        = {Materials Data on K2ReBr6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2ReBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, and faces with four equivalent ReBr6 octahedra. All K–Br bond lengths are 3.78 Å. Re4+ is bonded to six equivalent Br1- atoms to form ReBr6 octahedra that share faces with eight equivalent KBr12 cuboctahedra. All Re–Br bond lengths are 2.54 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Re4+ atom.},

  doi          = {10.17188/1199172},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199172

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