Bi2MoO6 crystallizes in the orthorhombic Pca2_1 space group. Mo(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(5) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded to four equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.
Bi2MoO6 crystallizes in the orthorhombic Pca2_1 space group. Mo(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. The Mo(1)-O(1) bond length is 1.85 Å. The Mo(1)-O(4) bond length is 1.85 Å. There is one shorter (1.77 Å) and one longer (2.27 Å) Mo(1)-O(2) bond length. There is one shorter (1.76 Å) and one longer (2.29 Å) Mo(1)-O(3) bond length. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(5) atoms. There is one shorter (2.45 Å) and one longer (2.49 Å) Bi(1)-O(1) bond length. There are a spread of Bi(1)-O(5) bond distances ranging from 2.20-2.54 Å. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to two equivalent O(4) and four equivalent O(6) atoms. There is one shorter (2.43 Å) and one longer (2.53 Å) Bi(2)-O(4) bond length. There are a spread of Bi(2)-O(6) bond distances ranging from 2.20-2.54 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mo(1) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to four equivalent Bi(1) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the sixth O site, O(6) is bonded to four equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.