Materials Data on NaAl2H8(ClO2)4 by Materials Project

doi:10.17188/1677237

Title: Materials Data on NaAl2H8(ClO2)4 by Materials Project

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Abstract

NaH8(Al(O2Cl)2)2 crystallizes in the tetragonal P4/nmm space group. The structure is zero-dimensional and consists of four Al(O2Cl)2 clusters and two NaH8 clusters. In each Al(O2Cl)2 cluster, Al is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All Al–O bond lengths are 2.08 Å. Both Al–Cl bond lengths are 2.15 Å. O is bonded in a distorted single-bond geometry to one Al atom. Cl is bonded in a single-bond geometry to one Al atom. In each NaH8 cluster, Na is bonded in a 8-coordinate geometry to eight equivalent H atoms. All Na–H bond lengths are 2.19 Å. H is bonded in a distorted L-shaped geometry to one Na and one H atom. The H–H bond length is 0.75 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1211139

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; NaAl2H8(ClO2)4; Al-Cl-H-Na-O

OSTI Identifier:: 1677237

DOI:: https://doi.org/10.17188/1677237

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                    The Materials Project. Materials Data on NaAl2H8(ClO2)4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1677237.

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                    The Materials Project. Materials Data on NaAl2H8(ClO2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677237

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                    The Materials Project. 2019.  
"Materials Data on NaAl2H8(ClO2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677237.  https://www.osti.gov/servlets/purl/1677237. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1677237,

  title        = {Materials Data on NaAl2H8(ClO2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaH8(Al(O2Cl)2)2 crystallizes in the tetragonal P4/nmm space group. The structure is zero-dimensional and consists of four Al(O2Cl)2 clusters and two NaH8 clusters. In each Al(O2Cl)2 cluster, Al is bonded in an octahedral geometry to four equivalent O and two equivalent Cl atoms. All Al–O bond lengths are 2.08 Å. Both Al–Cl bond lengths are 2.15 Å. O is bonded in a distorted single-bond geometry to one Al atom. Cl is bonded in a single-bond geometry to one Al atom. In each NaH8 cluster, Na is bonded in a 8-coordinate geometry to eight equivalent H atoms. All Na–H bond lengths are 2.19 Å. H is bonded in a distorted L-shaped geometry to one Na and one H atom. The H–H bond length is 0.75 Å.},

  doi          = {10.17188/1677237},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1677237

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