Materials Data on AlOF3 by Materials Project
AlOF3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Al is bonded to six F atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.78 Å) and four longer (1.98 Å) Al–F bond length. O is bonded in a square co-planar geometry to four equivalent F atoms. All O–F bond lengths are 1.98 Å. There are two inequivalent F sites. In the first F site, F is bonded in a linear geometry to two equivalent Al atoms. In the second F site, F is bonded in a linear geometry to two equivalent Al and two equivalent O atoms.
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