Materials Data on CrNF4 by Materials Project
(CrF4)2N2 crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of four ammonia molecules and one CrF4 sheet oriented in the (0, 0, 1) direction. In the CrF4 sheet, Cr3+ is bonded to six F1- atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 15°. There is two shorter (1.77 Å) and four longer (1.93 Å) Cr–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Cr3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr3+ atom.
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