Materials Data on AlH4NF4 by Materials Project
NH4AlF4 crystallizes in the tetragonal P4_2/mbc space group. The structure is two-dimensional and consists of four ammonium molecules and two AlF4 sheets oriented in the (0, 0, 1) direction. In each AlF4 sheet, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 21°. There is two shorter (1.81 Å) and four longer (1.84 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Al3+ atoms.
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