Materials Data on Ca3Ga2(SnO4)3 by Materials Project

doi:10.17188/1699229

Title: Materials Data on Ca3Ga2(SnO4)3 by Materials Project

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Abstract

Ca3Sn3Ga2O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.45 Å) and four longer (2.61 Å) Ca–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent SnO4 tetrahedra. All Ga–O bond lengths are 2.03 Å. Sn4+ is bonded to four equivalent O2- atoms to form SnO4 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sn–O bond lengths are 1.98 Å. O2- is bonded to two equivalent Ca2+, one Ga3+, and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCa2GaSn tetrahedra.

Publication Date:: Wed Apr 29 04:00:00 UTC 2020

Other Number(s):: mp-1214317

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; Ca-Ga-O-Sn; Ca3Ga2(SnO4)3; crystal structure

OSTI Identifier:: 1699229

DOI:: https://doi.org/10.17188/1699229

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                    Materials Data on Ca3Ga2(SnO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1699229.

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                    Materials Data on Ca3Ga2(SnO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1699229

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                    2020.  
"Materials Data on Ca3Ga2(SnO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1699229.  https://www.osti.gov/servlets/purl/1699229. Pub date:Wed Apr 29 04:00:00 UTC 2020

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@article{osti_1699229,

  title        = {Materials Data on Ca3Ga2(SnO4)3 by Materials Project},

  
  abstractNote = {Ca3Sn3Ga2O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.45 Å) and four longer (2.61 Å) Ca–O bond lengths. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent SnO4 tetrahedra. All Ga–O bond lengths are 2.03 Å. Sn4+ is bonded to four equivalent O2- atoms to form SnO4 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Sn–O bond lengths are 1.98 Å. O2- is bonded to two equivalent Ca2+, one Ga3+, and one Sn4+ atom to form a mixture of distorted edge and corner-sharing OCa2GaSn tetrahedra.},

  doi          = {10.17188/1699229},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 04:00:00 UTC 2020},

  month        = {Wed Apr 29 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1699229

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