Materials Data on BiRh7Pb2O15 by Materials Project

Rh7Pb2BiO15 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are six inequivalent Rh+3.29+ sites. In the first Rh+3.29+ site, Rh+3.29+ is bonded to six O2- atoms to form edge-sharing RhO6 octahedra. All Rh–O bond lengths are 2.05 Å. In the second Rh+3.29+ site, Rh+3.29+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Rh–O bond distances ranging from 2.02–2.06 Å. In the third Rh+3.29+ site, Rh+3.29+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Rh–O bond distances ranging from 2.03–2.07 Å. In the fourth Rh+3.29+ site, Rh+3.29+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Rh–O bond distances ranging from 2.04–2.06 Å. In the fifth Rh+3.29+ site, Rh+3.29+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing RhO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are two shorter (2.04 Å) and four longer (2.05 Å) Rh–O bond lengths. In the sixth Rh+3.29+ site, Rh+3.29+ is bonded to six O2- atoms to form a mixture of corner and face-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Rh–O bond distances ranging from 2.03–2.16 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (2.43 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.44 Å) and four longer (2.67 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–2.71 Å. Bi3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.33 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rh+3.29+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rh+3.29+, one Pb2+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rh+3.29+, one Pb2+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Rh+3.29+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Rh+3.29+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Rh+3.29+ atoms. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Rh+3.29+ and one Bi3+ atom. In the eighth O2- site, O2- is bonded to three Rh+3.29+ and one Pb2+ atom to form distorted corner-sharing ORh3Pb tetrahedra. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Rh+3.29+ and one Pb2+ atom. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to three Rh+3.29+ and one Pb2+ atom.