Materials Data on AlNF4 by Materials Project
(AlF4)2N2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ammonia molecule and one AlF4 sheet oriented in the (0, 0, 1) direction. In the AlF4 sheet, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.80 Å) and four longer (1.82 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom.
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