Materials Data on Rb2AlTlH6 by Materials Project

doi:10.17188/1316838

Title: Materials Data on Rb2AlTlH6 by Materials Project

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Abstract

Rb2AlH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Rb2AlH6 framework. In the Rb2AlH6 framework, Rb1+ is bonded to twelve equivalent H1- atoms to form distorted RbH12 cuboctahedra that share corners with twelve equivalent RbH12 cuboctahedra, faces with six equivalent RbH12 cuboctahedra, and faces with four equivalent AlH6 octahedra. All Rb–H bond lengths are 3.10 Å. Al3+ is bonded to six equivalent H1- atoms to form AlH6 octahedra that share faces with eight equivalent RbH12 cuboctahedra. All Al–H bond lengths are 1.79 Å. H1- is bonded in a single-bond geometry to four equivalent Rb1+ and one Al3+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-989539

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; Rb2AlTlH6; Al-H-Rb-Tl

OSTI Identifier:: 1316838

DOI:: https://doi.org/10.17188/1316838

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                    The Materials Project. Materials Data on Rb2AlTlH6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316838.

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                    The Materials Project. Materials Data on Rb2AlTlH6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316838

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                    The Materials Project. 2020.  
"Materials Data on Rb2AlTlH6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316838.  https://www.osti.gov/servlets/purl/1316838. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1316838,

  title        = {Materials Data on Rb2AlTlH6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2AlH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Rb2AlH6 framework. In the Rb2AlH6 framework, Rb1+ is bonded to twelve equivalent H1- atoms to form distorted RbH12 cuboctahedra that share corners with twelve equivalent RbH12 cuboctahedra, faces with six equivalent RbH12 cuboctahedra, and faces with four equivalent AlH6 octahedra. All Rb–H bond lengths are 3.10 Å. Al3+ is bonded to six equivalent H1- atoms to form AlH6 octahedra that share faces with eight equivalent RbH12 cuboctahedra. All Al–H bond lengths are 1.79 Å. H1- is bonded in a single-bond geometry to four equivalent Rb1+ and one Al3+ atom.},

  doi          = {10.17188/1316838},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316838

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