Materials Data on Ca2Ta2O7 by Materials Project

Kristin Persson
Ca2Ta2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are fifteen inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to eight O2- atoms to form distorted CaO8 hexagonal bipyramids that share a cornercorner with one TaO6 octahedra, edges with two equivalent CaO8 hexagonal bipyramids, and edges with six TaO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ca–O bond distances ranging from 2.31–2.88...
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