Materials Data on ScTlF6 by Materials Project
ScTlF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Sc–F bond lengths are 2.03 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Tl–F bond lengths are 2.19 Å. F1- is bonded in a bent 150 degrees geometry to one Sc3+ and one Tl3+ atom.
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