Materials Data on CaV2O4 by Materials Project

Kristin Persson
CaV2O4 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six O2- atoms to form distorted CaO6 pentagonal pyramids that share corners with six equivalent VO6 octahedra and edges with six VO6 octahedra. The corner-sharing octahedra tilt angles range from 6–17°. There are two shorter (2.35 Å) and four longer (2.43 Å) Ca–O bond lengths. In the second...
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