Materials Data on Rb6Al4(Sb2O7)3 by Materials Project

Abstract

Rb6Al4(Sb2O7)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.91–3.52 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.02–3.27 Å. In the third Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.99–3.51 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.77–1.79 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.79 Å) Al–O bond length. There are three inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.91 Å) and two longer (1.97 Å) Sb–O bond length. In the second Sb4+ site, Sb4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.97 Å) and two longer (1.98 Å) Sb–O bond length. In the third Sb4+ site, Sb4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is two shorter (1.96 Å) and one longer (2.01 Å) Sb–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Al3+, and one Sb4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+, one Al3+, and one Sb4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+ and one Sb4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three Rb1+, one Al3+, and one Sb4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+ and one Sb4+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+, one Al3+, and one Sb4+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Al3+ atom. In the eighth O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms.