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DOE OSTI · 1731339

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.

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36 MATERIALS SCIENCECd-Ga-OCd3Ga5O12crystal structure

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2020-04-29. Materials Data on Cd3Ga5O12 by Materials Project. https://doi.org/10.17188/1731339

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