Mo2Bi2Se2O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(5), one O(7), one O(8), and one O(9) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(13), one O(2), one O(6), and one O(9) atom. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), one O(7), one O(9), and two equivalent O(8) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Bi(2) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(2), one Bi(2), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mo(1), one Bi(1), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(2), one Bi(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mo(1) and one Bi(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mo(1) and two equivalent Bi(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Mo(1) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Bi(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(2) and one Bi(2) atom.
Mo2Bi2Se2O13 crystallizes in the triclinic P-1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(5), one O(7), one O(8), and one O(9) atom. The Mo(1)-O(10) bond length is 1.76 Å. The Mo(1)-O(12) bond length is 1.98 Å. The Mo(1)-O(5) bond length is 2.27 Å. The Mo(1)-O(7) bond length is 1.75 Å. The Mo(1)-O(8) bond length is 1.96 Å. The Mo(1)-O(9) bond length is 2.29 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(13), one O(2), one O(6), and one O(9) atom. The Mo(2)-O(11) bond length is 1.74 Å. The Mo(2)-O(12) bond length is 2.13 Å. The Mo(2)-O(13) bond length is 1.79 Å. The Mo(2)-O(2) bond length is 2.06 Å. The Mo(2)-O(6) bond length is 2.51 Å. The Mo(2)-O(9) bond length is 1.86 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), one O(7), one O(9), and two equivalent O(8) atoms. The Bi(1)-O(3) bond length is 2.50 Å. The Bi(1)-O(5) bond length is 2.50 Å. The Bi(1)-O(6) bond length is 2.52 Å. The Bi(1)-O(7) bond length is 2.61 Å. The Bi(1)-O(9) bond length is 2.39 Å. There is one shorter (2.35 Å) and one longer (2.37 Å) Bi(1)-O(8) bond length. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(12), one O(13), one O(2), one O(3), one O(4), and two equivalent O(1) atoms. The Bi(2)-O(12) bond length is 2.30 Å. The Bi(2)-O(13) bond length is 2.26 Å. The Bi(2)-O(2) bond length is 2.59 Å. The Bi(2)-O(3) bond length is 2.68 Å. The Bi(2)-O(4) bond length is 2.33 Å. There is one shorter (2.45 Å) and one longer (2.73 Å) Bi(2)-O(1) bond length. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. The Se(1)-O(1) bond length is 1.72 Å. The Se(1)-O(2) bond length is 1.80 Å. The Se(1)-O(3) bond length is 1.72 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(6) atom. The Se(2)-O(4) bond length is 1.73 Å. The Se(2)-O(5) bond length is 1.77 Å. The Se(2)-O(6) bond length is 1.76 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Bi(2) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(2), one Bi(2), and one Se(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Bi(2) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mo(1), one Bi(1), and one Se(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(2), one Bi(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mo(1) and one Bi(1) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mo(1) and two equivalent Bi(1) atoms. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(2), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Mo(1) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Mo(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(2), and one Bi(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mo(2) and one Bi(2) atom.