Materials Data on Rb2In4O7 by Materials Project

Abstract

Rb2In4O7 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are six shorter (3.11 Å) and three longer (3.31 Å) Rb–O bond lengths. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four O2- atoms to form InO4 tetrahedra that share corners with six equivalent InO6 octahedra and a cornercorner with one InO4 tetrahedra. The corner-sharing octahedral tilt angles are 62°. There are one shorter (2.06 Å) and three longer (2.10 Å) In–O bond lengths. In the second In3+ site, In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent InO4 tetrahedra and edges with three equivalent InO6 octahedra. All In–O bond lengths are 2.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three In3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to six equivalent Rb1+ and two equivalent In3+ atoms.