Materials Data on K2SbAuCl6 by Materials Project

doi:10.17188/1751461

Title: Materials Data on K2SbAuCl6 by Materials Project

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Abstract

K2AuSbCl6 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 Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent AuCl6 octahedra, and faces with four equivalent SbCl6 octahedra. All K–Cl bond lengths are 3.78 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent SbCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.69 Å. Sb3+ is bonded to six equivalent Cl1- atoms to form SbCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Cl bond lengths are 2.66 Å. Cl1- is bonded to four equivalent K1+, one Au1+, and one Sb3+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4SbAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1112067

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; K2SbAuCl6; Au-Cl-K-Sb

OSTI Identifier:: 1751461

DOI:: https://doi.org/10.17188/1751461

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                    The Materials Project. Materials Data on K2SbAuCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751461.

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                    The Materials Project. Materials Data on K2SbAuCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751461

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                    The Materials Project. 2020.  
"Materials Data on K2SbAuCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751461.  https://www.osti.gov/servlets/purl/1751461. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751461,

  title        = {Materials Data on K2SbAuCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2AuSbCl6 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 Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent AuCl6 octahedra, and faces with four equivalent SbCl6 octahedra. All K–Cl bond lengths are 3.78 Å. Au1+ is bonded to six equivalent Cl1- atoms to form AuCl6 octahedra that share corners with six equivalent SbCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–Cl bond lengths are 2.69 Å. Sb3+ is bonded to six equivalent Cl1- atoms to form SbCl6 octahedra that share corners with six equivalent AuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Cl bond lengths are 2.66 Å. Cl1- is bonded to four equivalent K1+, one Au1+, and one Sb3+ atom to form a mixture of distorted corner, edge, and face-sharing ClK4SbAu octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1751461},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751461

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