Materials Data on RbAl(H2N)4 by Materials Project

doi:10.17188/1292491

Title: Materials Data on RbAl(H2N)4 by Materials Project

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Abstract

RbAl(NH2)4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Rb1+ is bonded to twelve H1+ atoms to form distorted face-sharing RbH12 cuboctahedra. There are a spread of Rb–H bond distances ranging from 2.90–3.16 Å. Al3+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Al–N bond lengths are 1.89 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-762197

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; RbAl(H2N)4; Al-H-N-Rb

OSTI Identifier:: 1292491

DOI:: https://doi.org/10.17188/1292491

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                    The Materials Project. Materials Data on RbAl(H2N)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1292491.

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                    The Materials Project. Materials Data on RbAl(H2N)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1292491

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                    The Materials Project. 2020.  
"Materials Data on RbAl(H2N)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1292491.  https://www.osti.gov/servlets/purl/1292491. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1292491,

  title        = {Materials Data on RbAl(H2N)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbAl(NH2)4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Rb1+ is bonded to twelve H1+ atoms to form distorted face-sharing RbH12 cuboctahedra. There are a spread of Rb–H bond distances ranging from 2.90–3.16 Å. Al3+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Al–N bond lengths are 1.89 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom.},

  doi          = {10.17188/1292491},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1292491

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