Materials Data on Ca11(ReO6)4 by Materials Project

Kristin Persson
Ca11Re4O24 crystallizes in the tetragonal I4_1 space group. The structure is three-dimensional. there are seven inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 octahedra that share corners with two equivalent ReO6 octahedra and edges with two equivalent ReO6 octahedra. The corner-sharing octahedral tilt angles are 73°. There are a spread of Ca–O bond distances ranging from 2.37–2.43 Å. In the second Ca2+ site, Ca2+...
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