Ba2MgMo4(Se2O11)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(2), one O(4), one O(7), and one O(8) atom. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(16), one O(17), one O(18), one O(20), one O(22), one O(3), one O(5), and one O(6) atom. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(14), one O(6), and one O(8) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(13), one O(14), one O(19), one O(2), one O(3), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second Mo site, Mo(2) is bonded in a distorted octahedral geometry to one O(10), one O(15), one O(16), one O(18), one O(22), and one O(9) atom. In the third Mo site, Mo(3) is bonded to one O(11), one O(12), one O(2), one O(20), one O(4), and one O(5) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(1), one O(16), one O(17), one O(21), one O(7), and one O(8) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(13), and one O(8) atom. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(17), one O(3), and one O(9) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one O(10), one O(19), and one O(4) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(18), one O(21), and one O(5) atom. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2), one Mg(1), and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mo(1), and one Mo(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(2), one Mo(1), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Mo(3), and one Se(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one Mo(3), and one Se(4) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Ba(2), one Mg(1), and one Mo(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Mo(4), and one Se(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(2) and one Se(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one Se(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mo(3) and one Se(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Mo(1), and one Se(1) atom. In the fourteenth O site, O(14) is bonded in a distorted L-shaped geometry to one Ba(1), one Mg(1), and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(2) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Mo(2), and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Mo(4), and one Se(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Mo(2), and one Se(4) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Mo(1) and one Se(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Mo(3) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Mo(4) and one Se(4) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Ba(2) and one Mo(2) atom.
Ba2MgMo4(Se2O11)2 crystallizes in the triclinic P1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(10), one O(11), one O(13), one O(14), one O(15), one O(2), one O(4), one O(7), and one O(8) atom. The Ba(1)-O(10) bond length is 2.99 Å. The Ba(1)-O(11) bond length is 2.73 Å. The Ba(1)-O(13) bond length is 2.85 Å. The Ba(1)-O(14) bond length is 2.96 Å. The Ba(1)-O(15) bond length is 2.68 Å. The Ba(1)-O(2) bond length is 3.37 Å. The Ba(1)-O(4) bond length is 2.81 Å. The Ba(1)-O(7) bond length is 2.64 Å. The Ba(1)-O(8) bond length is 3.18 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(16), one O(17), one O(18), one O(20), one O(22), one O(3), one O(5), and one O(6) atom. The Ba(2)-O(1) bond length is 2.79 Å. The Ba(2)-O(16) bond length is 3.34 Å. The Ba(2)-O(17) bond length is 3.03 Å. The Ba(2)-O(18) bond length is 2.89 Å. The Ba(2)-O(20) bond length is 2.75 Å. The Ba(2)-O(22) bond length is 2.84 Å. The Ba(2)-O(3) bond length is 3.04 Å. The Ba(2)-O(5) bond length is 2.99 Å. The Ba(2)-O(6) bond length is 2.94 Å. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(14), one O(6), and one O(8) atom. The Mg(1)-O(1) bond length is 1.93 Å. The Mg(1)-O(14) bond length is 2.00 Å. The Mg(1)-O(6) bond length is 2.11 Å. The Mg(1)-O(8) bond length is 2.03 Å. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(13), one O(14), one O(19), one O(2), one O(3), and one O(6) atom to form corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Mo(1)-O(13) bond length is 2.22 Å. The Mo(1)-O(14) bond length is 1.89 Å. The Mo(1)-O(19) bond length is 2.10 Å. The Mo(1)-O(2) bond length is 2.02 Å. The Mo(1)-O(3) bond length is 2.14 Å. The Mo(1)-O(6) bond length is 1.83 Å. In the second Mo site, Mo(2) is bonded in a distorted octahedral geometry to one O(10), one O(15), one O(16), one O(18), one O(22), and one O(9) atom. The Mo(2)-O(10) bond length is 2.24 Å. The Mo(2)-O(15) bond length is 1.76 Å. The Mo(2)-O(16) bond length is 1.88 Å. The Mo(2)-O(18) bond length is 2.25 Å. The Mo(2)-O(22) bond length is 1.75 Å. The Mo(2)-O(9) bond length is 2.15 Å. In the third Mo site, Mo(3) is bonded to one O(11), one O(12), one O(2), one O(20), one O(4), and one O(5) atom to form distorted corner-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Mo(3)-O(11) bond length is 1.75 Å. The Mo(3)-O(12) bond length is 2.13 Å. The Mo(3)-O(2) bond length is 1.90 Å. The Mo(3)-O(20) bond length is 1.76 Å. The Mo(3)-O(4) bond length is 2.27 Å. The Mo(3)-O(5) bond length is 2.20 Å. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one O(1), one O(16), one O(17), one O(21), one O(7), and one O(8) atom. The Mo(4)-O(1) bond length is 1.89 Å. The Mo(4)-O(16) bond length is 2.07 Å. The Mo(4)-O(17) bond length is 2.15 Å. The Mo(4)-O(21) bond length is 2.07 Å. The Mo(4)-O(7) bond length is 1.74 Å. The Mo(4)-O(8) bond length is 2.38 Å. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(12), one O(13), and one O(8) atom. The Se(1)-O(12) bond length is 1.74 Å. The Se(1)-O(13) bond length is 1.73 Å. The Se(1)-O(8) bond length is 1.76 Å. In the second Se site, Se(2) is bonded in a distorted trigonal non-coplanar geometry to one O(17), one O(3), and one O(9) atom. The Se(2)-O(17) bond length is 1.75 Å. The Se(2)-O(3) bond length is 1.75 Å. The Se(2)-O(9) bond length is 1.73 Å. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one O(10), one O(19), and one O(4) atom. The Se(3)-O(10) bond length is 1.71 Å. The Se(3)-O(19) bond length is 1.74 Å. The Se(3)-O(4) bond length is 1.72 Å. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(18), one O(21), and one O(5) atom. The Se(4)-O(18) bond length is 1.74 Å. The Se(4)-O(21) bond length is 1.75 Å. The Se(4)-O(5) bond length is 1.73 Å. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2), one Mg(1), and one Mo(4) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Mo(1), and one Mo(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(2), one Mo(1), and one Se(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Mo(3), and one Se(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one Mo(3), and one Se(4) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Ba(2), one Mg(1), and one Mo(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), one Mo(4), and one Se(1) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mo(2) and one Se(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one Mo(2), and one Se(3) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Mo(3) and one Se(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Mo(1), and one Se(1) atom. In the fourteenth O site, O(14) is bonded in a distorted L-shaped geometry to one Ba(1), one Mg(1), and one Mo(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mo(2) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Mo(2), and one Mo(4) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Mo(4), and one Se(2) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Mo(2), and one Se(4) atom. In the nineteenth O site, O(19) is bonded in a bent 120 degrees geometry to one Mo(1) and one Se(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one Ba(2) and one Mo(3) atom. In the twenty-first O site, O(21) is bonded in a bent 120 degrees geometry to one Mo(4) and one Se(4) atom. In the twenty-second O site, O(22) is bonded in a distorted single-bond geometry to one Ba(2) and one Mo(2) atom.