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DOE OSTI · 1288762

Materials Data on CaGd2O4 by Materials Project

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Abstract

CaGd2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent O2- atoms to form CaO4 tetrahedra that share corners with twelve equivalent GdO6 octahedra. The corner-sharing octahedra tilt angles range from 57–60°. All Ca–O bond lengths are 2.32 Å. Gd3+ is bonded to six equivalent O2- atoms to form GdO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent GdO6 octahedra. There are two shorter (2.33 Å) and four longer (2.34 Å) Gd–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Gd3+ atoms to form a mixture of distorted edge and corner-sharing OCaGd3 trigonal pyramids.

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36 MATERIALS SCIENCECa-Gd-OCaGd2O4crystal structure

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2020-07-20. Materials Data on CaGd2O4 by Materials Project. https://doi.org/10.17188/1288762

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