Materials Data on Rb2Zn5Sb4 by Materials Project

Abstract

Rb2Zn5Sb4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent Rb1+ and eight Sb3- atoms. Both Rb–Rb bond lengths are 3.91 Å. There are a spread of Rb–Sb bond distances ranging from 3.74–4.07 Å. There are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of corner and edge-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.73–2.84 Å. In the second Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of corner and edge-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.69–2.94 Å. In the third Zn2+ site, Zn2+ is bonded to four Sb3- atoms to form a mixture of distorted corner and edge-sharing ZnSb4 tetrahedra. There are two shorter (2.76 Å) and two longer (2.82 Å) Zn–Sb bond lengths. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 7-coordinate geometry to four equivalent Rb1+ and five Zn2+ atoms. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and five Zn2+ atoms.