Materials Data on K2ScTlBr6 by Materials Project
(K)2ScTlBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one ScTlBr6 framework. In the ScTlBr6 framework, Sc3+ is bonded to six equivalent Br1- atoms to form ScBr6 octahedra that share corners with six equivalent TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–Br bond lengths are 2.66 Å. Tl1+ is bonded to six equivalent Br1- atoms to form TlBr6 octahedra that share corners with six equivalent ScBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.16 Å. Br1- is bonded in a linear geometry to one Sc3+ and one Tl1+ atom.
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