Bi2MoO6 crystallizes in the orthorhombic Pbca space group. Mo(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Bi(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Bi(1) atom. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms.
Bi2MoO6 crystallizes in the orthorhombic Pbca space group. Mo(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 26°. Both Mo(1)-O(1) bond lengths are 1.91 Å. There are two shorter (1.96 Å) and two longer (1.97 Å) Mo(1)-O(3) bond lengths. Bi(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. The Bi(1)-O(1) bond length is 2.44 Å. There are a spread of Bi(1)-O(2) bond distances ranging from 2.25-2.40 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Mo(1) and one Bi(1) atom. In the second O site, O(2) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms.