Sm2Mo2O7 crystallizes in the triclinic P1 space group. There are eight inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted hexagonal planar geometry to one O(21), one O(22), one O(25), one O(5), one O(8), and one O(9) atom. In the second Sm site, Sm(2) is bonded in a distorted hexagonal planar geometry to one O(11), one O(19), one O(23), one O(24), one O(6), and one O(7) atom. In the third Sm site, Sm(3) is bonded in a distorted hexagonal planar geometry to one O(10), one O(15), one O(17), one O(27), one O(5), and one O(6) atom. In the fourth Sm site, Sm(4) is bonded in a distorted hexagonal planar geometry to one O(11), one O(12), one O(13), one O(16), one O(17), and one O(19) atom. In the fifth Sm site, Sm(5) is bonded in a distorted hexagonal planar geometry to one O(14), one O(15), one O(2), one O(21), one O(28), and one O(9) atom. In the sixth Sm site, Sm(6) is bonded in a distorted hexagonal planar geometry to one O(12), one O(2), one O(20), one O(23), one O(3), and one O(8) atom. In the seventh Sm site, Sm(7) is bonded in a distorted hexagonal planar geometry to one O(13), one O(14), one O(20), one O(24), one O(25), and one O(3) atom. In the eighth Sm site, Sm(8) is bonded in a distorted hexagonal planar geometry to one O(10), one O(16), one O(22), one O(27), one O(28), and one O(7) atom. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one O(23), one O(24), one O(27), one O(3), one O(4), one O(6), and one O(7) atom. In the second Mo site, Mo(2) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(12), one O(2), one O(23), one O(26), one O(8), and one O(9) atom. In the third Mo site, Mo(3) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(15), one O(18), one O(2), one O(20), and one O(28) atom. In the fourth Mo site, Mo(4) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(13), one O(16), one O(17), one O(27), and one O(3) atom. In the fifth Mo site, Mo(5) is bonded in a body-centered cubic geometry to one O(15), one O(17), one O(18), one O(19), one O(21), one O(4), one O(5), and one O(6) atom. In the sixth Mo site, Mo(6) is bonded in a body-centered cubic geometry to one O(16), one O(18), one O(19), one O(21), one O(22), one O(28), one O(4), and one O(7) atom. In the seventh Mo site, Mo(7) is bonded in a 7-coordinate geometry to one O(10), one O(20), one O(22), one O(25), one O(26), one O(5), and one O(8) atom. In the eighth Mo site, Mo(8) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(13), one O(14), one O(24), one O(25), one O(26), and one O(9) atom. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Mo(4), and one Mo(8) atom. In the second O site, O(2) is bonded to one Sm(5), one Sm(6), one Mo(2), and one Mo(3) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the third O site, O(3) is bonded to one Sm(6), one Sm(7), one Mo(1), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(5), and one Mo(6) atom. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(3), one Mo(5), and one Mo(7) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the sixth O site, O(6) is bonded to one Sm(2), one Sm(3), one Mo(1), and one Mo(5) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(8), one Mo(1), and one Mo(6) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(1), one Sm(6), one Mo(2), and one Mo(7) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the ninth O site, O(9) is bonded to one Sm(1), one Sm(5), one Mo(2), and one Mo(8) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the tenth O site, O(10) is bonded to one Sm(3), one Sm(8), one Mo(3), and one Mo(7) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the eleventh O site, O(11) is bonded to one Sm(2), one Sm(4), one Mo(2), and one Mo(8) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the twelfth O site, O(12) is bonded to one Sm(4), one Sm(6), one Mo(2), and one Mo(4) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the thirteenth O site, O(13) is bonded to one Sm(4), one Sm(7), one Mo(4), and one Mo(8) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Sm(5), one Sm(7), one Mo(3), and one Mo(8) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the fifteenth O site, O(15) is bonded to one Sm(3), one Sm(5), one Mo(3), and one Mo(5) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the sixteenth O site, O(16) is bonded to one Sm(4), one Sm(8), one Mo(4), and one Mo(6) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the seventeenth O site, O(17) is bonded to one Sm(3), one Sm(4), one Mo(4), and one Mo(5) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Mo(3), one Mo(5), and one Mo(6) atom. In the nineteenth O site, O(19) is bonded to one Sm(2), one Sm(4), one Mo(5), and one Mo(6) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the twentieth O site, O(20) is bonded to one Sm(6), one Sm(7), one Mo(3), and one Mo(7) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-first O site, O(21) is bonded to one Sm(1), one Sm(5), one Mo(5), and one Mo(6) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-second O site, O(22) is bonded to one Sm(1), one Sm(8), one Mo(6), and one Mo(7) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-third O site, O(23) is bonded to one Sm(2), one Sm(6), one Mo(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Sm(2), one Sm(7), one Mo(1), and one Mo(8) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-fifth O site, O(25) is bonded to one Sm(1), one Sm(7), one Mo(7), and one Mo(8) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Mo(2), one Mo(7), and one Mo(8) atom. In the twenty-seventh O site, O(27) is bonded to one Sm(3), one Sm(8), one Mo(1), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Sm(5), one Sm(8), one Mo(3), and one Mo(6) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra.
Sm2Mo2O7 crystallizes in the triclinic P1 space group. There are eight inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted hexagonal planar geometry to one O(21), one O(22), one O(25), one O(5), one O(8), and one O(9) atom. The Sm(1)-O(21) bond length is 2.27 Å. The Sm(1)-O(22) bond length is 2.47 Å. The Sm(1)-O(25) bond length is 2.28 Å. The Sm(1)-O(5) bond length is 2.47 Å. The Sm(1)-O(8) bond length is 2.28 Å. The Sm(1)-O(9) bond length is 2.40 Å. In the second Sm site, Sm(2) is bonded in a distorted hexagonal planar geometry to one O(11), one O(19), one O(23), one O(24), one O(6), and one O(7) atom. The Sm(2)-O(11) bond length is 2.27 Å. The Sm(2)-O(19) bond length is 2.41 Å. The Sm(2)-O(23) bond length is 2.48 Å. The Sm(2)-O(24) bond length is 2.47 Å. The Sm(2)-O(6) bond length is 2.28 Å. The Sm(2)-O(7) bond length is 2.28 Å. In the third Sm site, Sm(3) is bonded in a distorted hexagonal planar geometry to one O(10), one O(15), one O(17), one O(27), one O(5), and one O(6) atom. The Sm(3)-O(10) bond length is 2.39 Å. The Sm(3)-O(15) bond length is 2.35 Å. The Sm(3)-O(17) bond length is 2.43 Å. The Sm(3)-O(27) bond length is 2.40 Å. The Sm(3)-O(5) bond length is 2.45 Å. The Sm(3)-O(6) bond length is 2.34 Å. In the fourth Sm site, Sm(4) is bonded in a distorted hexagonal planar geometry to one O(11), one O(12), one O(13), one O(16), one O(17), and one O(19) atom. The Sm(4)-O(11) bond length is 2.38 Å. The Sm(4)-O(12) bond length is 2.30 Å. The Sm(4)-O(13) bond length is 2.30 Å. The Sm(4)-O(16) bond length is 2.48 Å. The Sm(4)-O(17) bond length is 2.48 Å. The Sm(4)-O(19) bond length is 2.29 Å. In the fifth Sm site, Sm(5) is bonded in a distorted hexagonal planar geometry to one O(14), one O(15), one O(2), one O(21), one O(28), and one O(9) atom. The Sm(5)-O(14) bond length is 2.48 Å. The Sm(5)-O(15) bond length is 2.30 Å. The Sm(5)-O(2) bond length is 2.48 Å. The Sm(5)-O(21) bond length is 2.38 Å. The Sm(5)-O(28) bond length is 2.30 Å. The Sm(5)-O(9) bond length is 2.28 Å. In the sixth Sm site, Sm(6) is bonded in a distorted hexagonal planar geometry to one O(12), one O(2), one O(20), one O(23), one O(3), and one O(8) atom. The Sm(6)-O(12) bond length is 2.34 Å. The Sm(6)-O(2) bond length is 2.46 Å. The Sm(6)-O(20) bond length is 2.38 Å. The Sm(6)-O(23) bond length is 2.42 Å. The Sm(6)-O(3) bond length is 2.41 Å. The Sm(6)-O(8) bond length is 2.35 Å. In the seventh Sm site, Sm(7) is bonded in a distorted hexagonal planar geometry to one O(13), one O(14), one O(20), one O(24), one O(25), and one O(3) atom. The Sm(7)-O(13) bond length is 2.34 Å. The Sm(7)-O(14) bond length is 2.45 Å. The Sm(7)-O(20) bond length is 2.39 Å. The Sm(7)-O(24) bond length is 2.43 Å. The Sm(7)-O(25) bond length is 2.35 Å. The Sm(7)-O(3) bond length is 2.40 Å. In the eighth Sm site, Sm(8) is bonded in a distorted hexagonal planar geometry to one O(10), one O(16), one O(22), one O(27), one O(28), and one O(7) atom. The Sm(8)-O(10) bond length is 2.42 Å. The Sm(8)-O(16) bond length is 2.46 Å. The Sm(8)-O(22) bond length is 2.42 Å. The Sm(8)-O(27) bond length is 2.38 Å. The Sm(8)-O(28) bond length is 2.33 Å. The Sm(8)-O(7) bond length is 2.36 Å. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one O(23), one O(24), one O(27), one O(3), one O(4), one O(6), and one O(7) atom. The Mo(1)-O(23) bond length is 2.08 Å. The Mo(1)-O(24) bond length is 2.08 Å. The Mo(1)-O(27) bond length is 2.02 Å. The Mo(1)-O(3) bond length is 2.32 Å. The Mo(1)-O(4) bond length is 1.95 Å. The Mo(1)-O(6) bond length is 2.15 Å. The Mo(1)-O(7) bond length is 2.16 Å. In the second Mo site, Mo(2) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(12), one O(2), one O(23), one O(26), one O(8), and one O(9) atom. The Mo(2)-O(1) bond length is 2.17 Å. The Mo(2)-O(11) bond length is 2.21 Å. The Mo(2)-O(12) bond length is 2.20 Å. The Mo(2)-O(2) bond length is 2.29 Å. The Mo(2)-O(23) bond length is 2.27 Å. The Mo(2)-O(26) bond length is 2.16 Å. The Mo(2)-O(8) bond length is 2.21 Å. The Mo(2)-O(9) bond length is 2.20 Å. In the third Mo site, Mo(3) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(15), one O(18), one O(2), one O(20), and one O(28) atom. The Mo(3)-O(10) bond length is 2.02 Å. The Mo(3)-O(14) bond length is 2.07 Å. The Mo(3)-O(15) bond length is 2.16 Å. The Mo(3)-O(18) bond length is 1.96 Å. The Mo(3)-O(2) bond length is 2.06 Å. The Mo(3)-O(20) bond length is 2.34 Å. The Mo(3)-O(28) bond length is 2.16 Å. In the fourth Mo site, Mo(4) is bonded in a 7-coordinate geometry to one O(1), one O(12), one O(13), one O(16), one O(17), one O(27), and one O(3) atom. The Mo(4)-O(1) bond length is 1.96 Å. The Mo(4)-O(12) bond length is 2.16 Å. The Mo(4)-O(13) bond length is 2.16 Å. The Mo(4)-O(16) bond length is 2.07 Å. The Mo(4)-O(17) bond length is 2.05 Å. The Mo(4)-O(27) bond length is 2.34 Å. The Mo(4)-O(3) bond length is 2.02 Å. In the fifth Mo site, Mo(5) is bonded in a body-centered cubic geometry to one O(15), one O(17), one O(18), one O(19), one O(21), one O(4), one O(5), and one O(6) atom. The Mo(5)-O(15) bond length is 2.19 Å. The Mo(5)-O(17) bond length is 2.32 Å. The Mo(5)-O(18) bond length is 2.18 Å. The Mo(5)-O(19) bond length is 2.18 Å. The Mo(5)-O(21) bond length is 2.23 Å. The Mo(5)-O(4) bond length is 2.16 Å. The Mo(5)-O(5) bond length is 2.24 Å. The Mo(5)-O(6) bond length is 2.23 Å. In the sixth Mo site, Mo(6) is bonded in a body-centered cubic geometry to one O(16), one O(18), one O(19), one O(21), one O(22), one O(28), one O(4), and one O(7) atom. The Mo(6)-O(16) bond length is 2.27 Å. The Mo(6)-O(18) bond length is 2.16 Å. The Mo(6)-O(19) bond length is 2.21 Å. The Mo(6)-O(21) bond length is 2.20 Å. The Mo(6)-O(22) bond length is 2.29 Å. The Mo(6)-O(28) bond length is 2.21 Å. The Mo(6)-O(4) bond length is 2.17 Å. The Mo(6)-O(7) bond length is 2.20 Å. In the seventh Mo site, Mo(7) is bonded in a 7-coordinate geometry to one O(10), one O(20), one O(22), one O(25), one O(26), one O(5), and one O(8) atom. The Mo(7)-O(10) bond length is 2.34 Å. The Mo(7)-O(20) bond length is 2.02 Å. The Mo(7)-O(22) bond length is 2.07 Å. The Mo(7)-O(25) bond length is 2.16 Å. The Mo(7)-O(26) bond length is 1.95 Å. The Mo(7)-O(5) bond length is 2.09 Å. The Mo(7)-O(8) bond length is 2.16 Å. In the eighth Mo site, Mo(8) is bonded in a body-centered cubic geometry to one O(1), one O(11), one O(13), one O(14), one O(24), one O(25), one O(26), and one O(9) atom. The Mo(8)-O(1) bond length is 2.17 Å. The Mo(8)-O(11) bond length is 2.21 Å. The Mo(8)-O(13) bond length is 2.20 Å. The Mo(8)-O(14) bond length is 2.29 Å. The Mo(8)-O(24) bond length is 2.27 Å. The Mo(8)-O(25) bond length is 2.22 Å. The Mo(8)-O(26) bond length is 2.16 Å. The Mo(8)-O(9) bond length is 2.19 Å. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2), one Mo(4), and one Mo(8) atom. In the second O site, O(2) is bonded to one Sm(5), one Sm(6), one Mo(2), and one Mo(3) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the third O site, O(3) is bonded to one Sm(6), one Sm(7), one Mo(1), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(1), one Mo(5), and one Mo(6) atom. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(3), one Mo(5), and one Mo(7) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the sixth O site, O(6) is bonded to one Sm(2), one Sm(3), one Mo(1), and one Mo(5) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the seventh O site, O(7) is bonded to one Sm(2), one Sm(8), one Mo(1), and one Mo(6) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the eighth O site, O(8) is bonded to one Sm(1), one Sm(6), one Mo(2), and one Mo(7) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the ninth O site, O(9) is bonded to one Sm(1), one Sm(5), one Mo(2), and one Mo(8) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the tenth O site, O(10) is bonded to one Sm(3), one Sm(8), one Mo(3), and one Mo(7) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the eleventh O site, O(11) is bonded to one Sm(2), one Sm(4), one Mo(2), and one Mo(8) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the twelfth O site, O(12) is bonded to one Sm(4), one Sm(6), one Mo(2), and one Mo(4) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the thirteenth O site, O(13) is bonded to one Sm(4), one Sm(7), one Mo(4), and one Mo(8) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Sm(5), one Sm(7), one Mo(3), and one Mo(8) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the fifteenth O site, O(15) is bonded to one Sm(3), one Sm(5), one Mo(3), and one Mo(5) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the sixteenth O site, O(16) is bonded to one Sm(4), one Sm(8), one Mo(4), and one Mo(6) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the seventeenth O site, O(17) is bonded to one Sm(3), one Sm(4), one Mo(4), and one Mo(5) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the eighteenth O site, O(18) is bonded in a distorted trigonal non-coplanar geometry to one Mo(3), one Mo(5), and one Mo(6) atom. In the nineteenth O site, O(19) is bonded to one Sm(2), one Sm(4), one Mo(5), and one Mo(6) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the twentieth O site, O(20) is bonded to one Sm(6), one Sm(7), one Mo(3), and one Mo(7) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-first O site, O(21) is bonded to one Sm(1), one Sm(5), one Mo(5), and one Mo(6) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-second O site, O(22) is bonded to one Sm(1), one Sm(8), one Mo(6), and one Mo(7) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-third O site, O(23) is bonded to one Sm(2), one Sm(6), one Mo(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Sm(2), one Sm(7), one Mo(1), and one Mo(8) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-fifth O site, O(25) is bonded to one Sm(1), one Sm(7), one Mo(7), and one Mo(8) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-sixth O site, O(26) is bonded in a distorted trigonal planar geometry to one Mo(2), one Mo(7), and one Mo(8) atom. In the twenty-seventh O site, O(27) is bonded to one Sm(3), one Sm(8), one Mo(1), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OSm2Mo2 tetrahedra. In the twenty-eighth O site, O(28) is bonded to one Sm(5), one Sm(8), one Mo(3), and one Mo(6) atom to form a mixture of corner and edge-sharing OSm2Mo2 tetrahedra.