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DOE OSTI · 1289316

Materials Data on CaSm2O4 by Materials Project

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Abstract

CaSm2O4 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 SmO6 octahedra. The corner-sharing octahedra tilt angles range from 57–59°. All Ca–O bond lengths are 2.34 Å. Sm3+ is bonded to six equivalent O2- atoms to form SmO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent SmO6 octahedra. There are two shorter (2.36 Å) and four longer (2.37 Å) Sm–O bond lengths. O2- is bonded to one Ca2+ and three equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing OCaSm3 trigonal pyramids.

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36 MATERIALS SCIENCECa-O-SmCaSm2O4crystal structure

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2020-07-22. Materials Data on CaSm2O4 by Materials Project. https://doi.org/10.17188/1289316

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