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Materials Data on CaIn2O4 by Materials Project

CaIn2O4 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 InO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Ca–O bond lengths are 2.25 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent CaO4 tetrahedra and edges with six equivalent InO6 octahedra. All In–O bond lengths are 2.23 Å. O2- is bonded to one Ca2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing OCaIn3 trigonal pyramids.

36 MATERIALS SCIENCE↗