Materials Data on CsTiNb(O2F)2 by Materials Project

Kristin Persson
CsTiNb(O2F)2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to five O2- and one F1- atom to form distorted CsO5F octahedra that share corners with six equivalent TiO3F3 octahedra and corners with six equivalent NbO5F octahedra. The corner-sharing octahedra tilt angles range from 67–70°. There are a spread of Cs–O bond distances ranging from 3.20–3.48 Å. The Cs–F...
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