Materials Data on RbBa4Sb3O by Materials Project
RbBa4Sb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Rb1+ is bonded to six Sb+2.33- atoms to form corner-sharing RbSb6 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. There are four shorter (3.65 Å) and two longer (4.19 Å) Rb–Sb bond lengths. Ba2+ is bonded in a single-bond geometry to five Sb+2.33- and one O2- atom. There are a spread of Ba–Sb bond distances ranging from 3.59–3.92 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 9-coordinate geometry to two equivalent Rb1+, six equivalent Ba2+, and one Sb+2.33- atom. The Sb–Sb bond length is 2.91 Å. In the second Sb+2.33- site, Sb+2.33- is bonded in a 10-coordinate geometry to two equivalent Rb1+ and eight equivalent Ba2+ atoms. O2- is bonded in a tetrahedral geometry to four equivalent Ba2+ atoms.