Materials Data on CsMgAs(H3O2)2 by Materials Project

doi:10.17188/1745950

Title: Materials Data on CsMgAs(H3O2)2 by Materials Project

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Abstract

CsMgAs(H3O2)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent H1+ and four equivalent O2- atoms to form distorted CsH6O4 tetrahedra that share corners with six equivalent MgH6 octahedra and corners with four equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–H bond lengths are 3.13 Å. All Cs–O bond lengths are 2.74 Å. Mg2+ is bonded to six equivalent H1+ atoms to form MgH6 octahedra that share corners with six equivalent CsH6O4 tetrahedra. All Mg–H bond lengths are 2.02 Å. As1- is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CsH6O4 tetrahedra. All As–O bond lengths are 1.72 Å. H1+ is bonded in a single-bond geometry to one Cs1+ and one Mg2+ atom. O2- is bonded in a distorted linear geometry to one Cs1+ and one As1- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1213043

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; CsMgAs(H3O2)2; As-Cs-H-Mg-O

OSTI Identifier:: 1745950

DOI:: https://doi.org/10.17188/1745950

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                    The Materials Project. Materials Data on CsMgAs(H3O2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1745950.

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                    The Materials Project. Materials Data on CsMgAs(H3O2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1745950

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                    The Materials Project. 2020.  
"Materials Data on CsMgAs(H3O2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1745950.  https://www.osti.gov/servlets/purl/1745950. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1745950,

  title        = {Materials Data on CsMgAs(H3O2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsMgAs(H3O2)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent H1+ and four equivalent O2- atoms to form distorted CsH6O4 tetrahedra that share corners with six equivalent MgH6 octahedra and corners with four equivalent AsO4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–H bond lengths are 3.13 Å. All Cs–O bond lengths are 2.74 Å. Mg2+ is bonded to six equivalent H1+ atoms to form MgH6 octahedra that share corners with six equivalent CsH6O4 tetrahedra. All Mg–H bond lengths are 2.02 Å. As1- is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent CsH6O4 tetrahedra. All As–O bond lengths are 1.72 Å. H1+ is bonded in a single-bond geometry to one Cs1+ and one Mg2+ atom. O2- is bonded in a distorted linear geometry to one Cs1+ and one As1- atom.},

  doi          = {10.17188/1745950},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1745950

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