Materials Data on AlH10N2OF5 by Materials Project
(NH4)2AlF5H2O crystallizes in the orthorhombic Pbcn space group. The structure is one-dimensional and consists of eight ammonium molecules and two AlF5H2O ribbons oriented in the (1, 0, 0) direction. In each AlF5H2O ribbon, Al3+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Al–O bond length is 1.92 Å. There are a spread of Al–F bond distances ranging from 1.81–1.86 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.00 Å. The H–F bond length is 1.54 Å. O2- is bonded in a distorted trigonal planar geometry to one Al3+ and two equivalent H1+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one H1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom.