Materials Data on KAl(SO10)2 by Materials Project

doi:10.17188/1758336

Title: Materials Data on KAl(SO10)2 by Materials Project

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Abstract

KAlO12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one KAlO12 framework. In the KAlO12 framework, K is bonded in a distorted octahedral geometry to six equivalent O atoms. All K–O bond lengths are 3.33 Å. Al is bonded in an octahedral geometry to six equivalent O atoms. All Al–O bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one K and one O atom. The O–O bond length is 1.27 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Al and one O atom.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1181191

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; KAl(SO10)2; Al-K-O-S

OSTI Identifier:: 1758336

DOI:: https://doi.org/10.17188/1758336

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                    The Materials Project. Materials Data on KAl(SO10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758336.

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                    The Materials Project. Materials Data on KAl(SO10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758336

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                    The Materials Project. 2020.  
"Materials Data on KAl(SO10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758336.  https://www.osti.gov/servlets/purl/1758336. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758336,

  title        = {Materials Data on KAl(SO10)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAlO12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one KAlO12 framework. In the KAlO12 framework, K is bonded in a distorted octahedral geometry to six equivalent O atoms. All K–O bond lengths are 3.33 Å. Al is bonded in an octahedral geometry to six equivalent O atoms. All Al–O bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one K and one O atom. The O–O bond length is 1.27 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Al and one O atom.},

  doi          = {10.17188/1758336},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758336

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