Materials Data on Cs2AlAgCl6 by Materials Project

doi:10.17188/1680793

Title: Materials Data on Cs2AlAgCl6 by Materials Project

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Abstract

Cs2AgAlCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent AgCl6 octahedra, and faces with four equivalent AlCl6 octahedra. All Cs–Cl bond lengths are 3.68 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent AlCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.82 Å. Al3+ is bonded to six equivalent Cl1- atoms to form AlCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Cl bond lengths are 2.37 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Ag1+, and one Al3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1113621

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; Cs2AlAgCl6; Ag-Al-Cl-Cs

OSTI Identifier:: 1680793

DOI:: https://doi.org/10.17188/1680793

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                    The Materials Project. Materials Data on Cs2AlAgCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680793.

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                    The Materials Project. Materials Data on Cs2AlAgCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680793

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                    The Materials Project. 2020.  
"Materials Data on Cs2AlAgCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680793.  https://www.osti.gov/servlets/purl/1680793. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680793,

  title        = {Materials Data on Cs2AlAgCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2AgAlCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent AgCl6 octahedra, and faces with four equivalent AlCl6 octahedra. All Cs–Cl bond lengths are 3.68 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent AlCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.82 Å. Al3+ is bonded to six equivalent Cl1- atoms to form AlCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–Cl bond lengths are 2.37 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Ag1+, and one Al3+ atom.},

  doi          = {10.17188/1680793},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680793

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