Materials Data on Ca3Mg2(AsO4)3 by Materials Project

doi:10.17188/1734231

Title: Materials Data on Ca3Mg2(AsO4)3 by Materials Project

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Abstract

Ca3Mg2(AsO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.56 Å) Ca–O bond lengths. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent AsO4 tetrahedra. All Mg–O bond lengths are 2.12 Å. As is bonded to four equivalent O atoms to form AsO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All As–O bond lengths are 1.77 Å. O is bonded to two equivalent Ca, one Mg, and one As atom to form a mixture of distorted edge and corner-sharing OCa2MgAs trigonal pyramids.

Publication Date:: 2020-05-02

Other Number(s):: mp-1214140

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; As-Ca-Mg-O; Ca3Mg2(AsO4)3; crystal structure

OSTI Identifier:: 1734231

DOI:: https://doi.org/10.17188/1734231

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                    Materials Data on Ca3Mg2(AsO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734231.

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                    Materials Data on Ca3Mg2(AsO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734231

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                    2020.  
"Materials Data on Ca3Mg2(AsO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734231.  https://www.osti.gov/servlets/purl/1734231. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1734231,

  title        = {Materials Data on Ca3Mg2(AsO4)3 by Materials Project},

  
  abstractNote = {Ca3Mg2(AsO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.43 Å) and four longer (2.56 Å) Ca–O bond lengths. Mg is bonded to six equivalent O atoms to form MgO6 octahedra that share corners with six equivalent AsO4 tetrahedra. All Mg–O bond lengths are 2.12 Å. As is bonded to four equivalent O atoms to form AsO4 tetrahedra that share corners with four equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 50°. All As–O bond lengths are 1.77 Å. O is bonded to two equivalent Ca, one Mg, and one As atom to form a mixture of distorted edge and corner-sharing OCa2MgAs trigonal pyramids.},

  doi          = {10.17188/1734231},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1734231

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