Materials Data on Rb3AlO3 by Materials Project
Rb3AlO3 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 1-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.75–3.00 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.40 Å. In the third Rb1+ site, Rb1+ is bonded to four equivalent O2- atoms to form distorted RbO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent RbO4 tetrahedra. There are two shorter (2.85 Å) and two longer (3.02 Å) Rb–O bond lengths. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with four equivalent RbO4 tetrahedra and an edgeedge with one AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.78–1.86 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to six Rb1+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Al3+ atoms.