Materials Data on ZrOF4 by Materials Project
ZrOF4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Zr is bonded in a 8-coordinate geometry to two equivalent O and six F atoms. Both Zr–O bond lengths are 2.37 Å. There are a spread of Zr–F bond distances ranging from 1.95–2.22 Å. O is bonded in a linear geometry to two equivalent Zr atoms. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Zr atom. In the second F site, F is bonded in a linear geometry to two equivalent Zr atoms.
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