Materials Data on KAl(H2N)4 by Materials Project

doi:10.17188/1284976

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

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Abstract

KAl(NH2)4 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of twelve hydrogen molecules and two KAl(N2H)2 ribbons oriented in the (0, 0, 1) direction. In each KAl(N2H)2 ribbon, K1+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. Both K–N bond lengths are 3.04 Å. Al3+ is bonded in a tetrahedral geometry to two equivalent N3- and two equivalent H1+ atoms. Both Al–N bond lengths are 1.98 Å. Both Al–H bond lengths are 1.61 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one K1+, one Al3+, and one N3- atom. The N–N bond length is 1.18 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one N3- atom. H1+ is bonded in a single-bond geometry to one Al3+ atom.

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

Other Number(s):: mp-696221

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Al-H-K-N; KAl(H2N)4; crystal structure

OSTI Identifier:: 1284976

DOI:: https://doi.org/10.17188/1284976

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                    Materials Data on KAl(H2N)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1284976.

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                    Materials Data on KAl(H2N)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1284976

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                    2020.  
"Materials Data on KAl(H2N)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1284976.  https://www.osti.gov/servlets/purl/1284976. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1284976,

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

  
  abstractNote = {KAl(NH2)4 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of twelve hydrogen molecules and two KAl(N2H)2 ribbons oriented in the (0, 0, 1) direction. In each KAl(N2H)2 ribbon, K1+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. Both K–N bond lengths are 3.04 Å. Al3+ is bonded in a tetrahedral geometry to two equivalent N3- and two equivalent H1+ atoms. Both Al–N bond lengths are 1.98 Å. Both Al–H bond lengths are 1.61 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one K1+, one Al3+, and one N3- atom. The N–N bond length is 1.18 Å. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one N3- atom. H1+ is bonded in a single-bond geometry to one Al3+ atom.},

  doi          = {10.17188/1284976},

  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/10.17188/1284976

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