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DOE OSTI · 1732471

Materials Data on CaTm2O4 by Materials Project

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Abstract

CaTm2O4 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 TmO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Ca–O bond lengths are 2.30 Å. Tm3+ is bonded to six equivalent O2- atoms to form TmO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent TmO6 octahedra. All Tm–O bond lengths are 2.26 Å. O2- is bonded to one Ca2+ and three equivalent Tm3+ atoms to form a mixture of distorted corner and edge-sharing OCaTm3 trigonal pyramids.

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36 MATERIALS SCIENCECa-O-TmCaTm2O4crystal structure

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2020-05-03. Materials Data on CaTm2O4 by Materials Project. https://doi.org/10.17188/1732471

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