Materials Data on Cd3Ga5O12 by Materials Project

doi:10.17188/1731339

Title: Materials Data on Cd3Ga5O12 by Materials Project

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Abstract

Cd3Ga5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Cd is bonded in a body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.39 Å) and four longer (2.51 Å) Cd–O bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent O atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. All Ga–O bond lengths are 1.86 Å. In the second Ga site, Ga is bonded to six equivalent O atoms to form corner-sharing GaO6 octahedra. All Ga–O bond lengths are 2.00 Å. O is bonded in a 4-coordinate geometry to two equivalent Cd and two Ga atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1213947

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; Cd3Ga5O12; Cd-Ga-O

OSTI Identifier:: 1731339

DOI:: https://doi.org/10.17188/1731339

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                    The Materials Project. Materials Data on Cd3Ga5O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731339.

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                    The Materials Project. Materials Data on Cd3Ga5O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1731339

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                    The Materials Project. 2020.  
"Materials Data on Cd3Ga5O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1731339.  https://www.osti.gov/servlets/purl/1731339. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1731339,

  title        = {Materials Data on Cd3Ga5O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cd3Ga5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Cd is bonded in a body-centered cubic geometry to eight equivalent O atoms. There are four shorter (2.39 Å) and four longer (2.51 Å) Cd–O bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent O atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. All Ga–O bond lengths are 1.86 Å. In the second Ga site, Ga is bonded to six equivalent O atoms to form corner-sharing GaO6 octahedra. All Ga–O bond lengths are 2.00 Å. O is bonded in a 4-coordinate geometry to two equivalent Cd and two Ga atoms.},

  doi          = {10.17188/1731339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1731339

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