Materials Data on RbSc5Te8 by Materials Project

Abstract

RbSc5Te8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.93–4.17 Å. There are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of Sc–Te bond distances ranging from 2.87–3.04 Å. In the second Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing ScTe6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are four shorter (2.92 Å) and two longer (2.95 Å) Sc–Te bond lengths. In the third Sc3+ site, Sc3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing ScTe6 octahedra. The corner-sharing octahedra tilt angles range from 48–51°. There are a spread of Sc–Te bond distances ranging from 2.87–3.06 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted rectangular see-saw-like geometry to one Rb1+ and four Sc3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sc3+ atoms. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three equivalent Sc3+ atoms. In the fourth Te2- site, Te2- is bonded to five Sc3+ atoms to form distorted edge-sharing TeSc5 trigonal bipyramids.