Materials Data on Cs2AlTlH6 by Materials Project

doi:10.17188/1316873

Title: Materials Data on Cs2AlTlH6 by Materials Project

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Abstract

Cs2AlH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2AlH6 framework. In the Cs2AlH6 framework, Cs1+ is bonded to twelve equivalent H1- atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent AlH6 octahedra. All Cs–H bond lengths are 3.18 Å. Al3+ is bonded to six equivalent H1- atoms to form AlH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Al–H bond lengths are 1.80 Å. H1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Al3+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-989575

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; Cs2AlTlH6; Al-Cs-H-Tl

OSTI Identifier:: 1316873

DOI:: https://doi.org/10.17188/1316873

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                    The Materials Project. Materials Data on Cs2AlTlH6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316873.

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                    The Materials Project. Materials Data on Cs2AlTlH6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316873

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                    The Materials Project. 2020.  
"Materials Data on Cs2AlTlH6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316873.  https://www.osti.gov/servlets/purl/1316873. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316873,

  title        = {Materials Data on Cs2AlTlH6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2AlH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2AlH6 framework. In the Cs2AlH6 framework, Cs1+ is bonded to twelve equivalent H1- atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent AlH6 octahedra. All Cs–H bond lengths are 3.18 Å. Al3+ is bonded to six equivalent H1- atoms to form AlH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Al–H bond lengths are 1.80 Å. H1- is bonded in a single-bond geometry to four equivalent Cs1+ and one Al3+ atom.},

  doi          = {10.17188/1316873},

  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/10.17188/1316873

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