Materials Data on Rb2Mo2O5 by Materials Project

Rb2Mo2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.70–3.31 Å. There are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with four equivalent MoO6 octahedra and corners with two equivalent MoO4 tetrahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Mo–O bond distances ranging from 2.08–2.23 Å. In the second Mo4+ site, Mo4+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with two equivalent MoO6 octahedra and corners with two equivalent MoO4 tetrahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Mo–O bond distances ranging from 1.89–2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Mo4+ atoms to form distorted ORb4Mo2 octahedra that share corners with two equivalent ORb4Mo2 octahedra, corners with four equivalent ORb2Mo2 tetrahedra, edges with two equivalent ORb4Mo2 octahedra, and faces with four equivalent ORb4Mo2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two Mo4+ atoms. In the third O2- site, O2- is bonded to two equivalent Rb1+ and two equivalent Mo4+ atoms to form distorted ORb2Mo2 tetrahedra that share corners with eight equivalent ORb4Mo2 octahedra and corners with two equivalent ORb2Mo2 tetrahedra. The corner-sharing octahedra tilt angles range from 14–86°.