Materials Data on AlHg2O2F5 by Materials Project

Abstract

(HgO)2AlF5 crystallizes in the tetragonal I4cm space group. The structure is two-dimensional and consists of four AlF5 clusters and two HgO sheets oriented in the (0, 0, 1) direction. In each AlF5 cluster, Al is bonded in a square pyramidal geometry to five F atoms. There is four shorter (1.78 Å) and one longer (1.80 Å) Al–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Al atom. In the second F site, F is bonded in a single-bond geometry to one Al atom. In each HgO sheet, Hg is bonded in a 5-coordinate geometry to three equivalent O atoms. There are one shorter (2.21 Å) and two longer (2.36 Å) Hg–O bond lengths. O is bonded in a trigonal planar geometry to three equivalent Hg atoms.