Materials Data on RbSm3F10 by Materials Project

Abstract

RbSm3F10 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to sixteen F1- atoms to form distorted edge-sharing RbF16 tetrahedra. There are four shorter (2.90 Å) and twelve longer (3.34 Å) Rb–F bond lengths. Sm3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.29 Å) and four longer (2.44 Å) Sm–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Sm3+ atoms. In the second F1- site, F1- is bonded to one Rb1+ and three equivalent Sm3+ atoms to form a mixture of distorted corner and edge-sharing FRbSm3 tetrahedra.