Materials Data on GaH4NF4 by Materials Project
GaF4NH4 crystallizes in the tetragonal I4/mcm space group. The structure is two-dimensional and consists of four ammonium molecules and two GaF4 sheets oriented in the (0, 0, 1) direction. In each GaF4 sheet, Ga3+ is bonded to six F1- atoms to form corner-sharing GaF6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is two shorter (1.87 Å) and four longer (1.95 Å) Ga–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ga3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Ga3+ atom.