Materials Data on K2GaAgBr6 by Materials Project

doi:10.17188/1752619

Title: Materials Data on K2GaAgBr6 by Materials Project

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Abstract

K2AgGaBr6 is (Cubic) Perovskite-derived structured and 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, faces with four equivalent AgBr6 octahedra, and faces with four equivalent GaBr6 octahedra. All K–Br bond lengths are 3.83 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent GaBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.82 Å. Ga3+ is bonded to six equivalent Br1- atoms to form GaBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Br bond lengths are 2.59 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Ag1+, and one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1112470

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; K2GaAgBr6; Ag-Br-Ga-K

OSTI Identifier:: 1752619

DOI:: https://doi.org/10.17188/1752619

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                    The Materials Project. Materials Data on K2GaAgBr6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752619.

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                    The Materials Project. Materials Data on K2GaAgBr6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752619

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                    The Materials Project. 2020.  
"Materials Data on K2GaAgBr6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752619.  https://www.osti.gov/servlets/purl/1752619. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1752619,

  title        = {Materials Data on K2GaAgBr6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2AgGaBr6 is (Cubic) Perovskite-derived structured and 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, faces with four equivalent AgBr6 octahedra, and faces with four equivalent GaBr6 octahedra. All K–Br bond lengths are 3.83 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent GaBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.82 Å. Ga3+ is bonded to six equivalent Br1- atoms to form GaBr6 octahedra that share corners with six equivalent AgBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Br bond lengths are 2.59 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Ag1+, and one Ga3+ atom.},

  doi          = {10.17188/1752619},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752619

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