Materials Data on Sc6ReO12 by Materials Project

Sc6ReO12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sc3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sc–O bond distances ranging from 2.06–2.22 Å. Re6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Re–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sc3+ and one Re6+ atom. In the second O2- site, O2- is bonded to four equivalent Sc3+ atoms to form a mixture of corner and edge-sharing OSc4 tetrahedra.