Materials Data on KAuF6 by Materials Project

doi:10.17188/1188796

Title: Materials Data on KAuF6 by Materials Project

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Abstract

KAuF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent AuF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent AuF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are six shorter (2.98 Å) and six longer (3.00 Å) K–F bond lengths. Au5+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All Au–F bond lengths are 1.95 Å. F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Au5+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-12442

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; KAuF6; Au-F-K

OSTI Identifier:: 1188796

DOI:: https://doi.org/10.17188/1188796

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                    The Materials Project. Materials Data on KAuF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188796.

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                    The Materials Project. Materials Data on KAuF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188796

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                    The Materials Project. 2020.  
"Materials Data on KAuF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188796.  https://www.osti.gov/servlets/purl/1188796. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1188796,

  title        = {Materials Data on KAuF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAuF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent AuF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent AuF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are six shorter (2.98 Å) and six longer (3.00 Å) K–F bond lengths. Au5+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All Au–F bond lengths are 1.95 Å. F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Au5+ atom.},

  doi          = {10.17188/1188796},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188796

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