Materials Data on Cd4OF6 by Materials Project
Cd4OF6 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Cd2+ is bonded to one O2- and six F1- atoms to form a mixture of distorted edge and corner-sharing CdOF6 pentagonal bipyramids. The Cd–O bond length is 2.21 Å. There are a spread of Cd–F bond distances ranging from 2.27–2.46 Å. O2- is bonded to four equivalent Cd2+ atoms to form OCd4 tetrahedra that share corners with sixteen FCd4 tetrahedra and edges with four equivalent FCd4 tetrahedra. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Cd2+ atoms to form FCd4 tetrahedra that share corners with four equivalent OCd4 tetrahedra, corners with eight equivalent FCd4 tetrahedra, and edges with six FCd4 tetrahedra. In the second F1- site, F1- is bonded to four equivalent Cd2+ atoms to form distorted FCd4 tetrahedra that share corners with two equivalent OCd4 tetrahedra, corners with twelve FCd4 tetrahedra, an edgeedge with one OCd4 tetrahedra, and edges with four FCd4 tetrahedra.