Materials Data on SrZrF6 by Materials Project
SrZrF6 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Sr2+ is bonded in a 6-coordinate geometry to ten F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.94 Å. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.06 Å) and four longer (2.26 Å) Zr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and one Zr4+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to one Sr2+ and two equivalent Zr4+ atoms.
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