LiSm4(Mo2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(4), one O(12), one O(13), one O(3), one O(6), one O(8), and one O(9) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(5), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a distorted hexagonal bipyramidal geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. In the third Sm site, Sm(3) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(14), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(13), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one Li(1), one O(10), one O(13), one O(14), one O(6), one O(7), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(12), one O(13), one O(2), one O(3), and one O(7) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(12), one O(14), one O(4), one O(8), and one O(9) atom. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one Li(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom. In the fourth O site, O(4) is bonded to one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with four equivalent O(11)Sm4 tetrahedra,  an edgeedge with one O(1)Sm2Mo2 tetrahedra,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra,  an edgeedge with one O(2)Sm2Mo2 tetrahedra,  an edgeedge with one O(4)Sm2Mo2 tetrahedra, and  an edgeedge with one O(7)Sm2Mo2 tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom. In the seventh O site, O(7) is bonded to one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom. In the tenth O site, O(10) is bonded to one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eleventh O site, O(11) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, and corners with four equivalent O(5)Sm4 tetrahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded to one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra.
LiSm4(Mo2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(4), one O(12), one O(13), one O(3), one O(6), one O(8), and one O(9) atom. The Li(1)-Mo(1) bond length is 2.39 Å. The Li(1)-Mo(2) bond length is 2.40 Å. The Li(1)-Mo(3) bond length is 2.40 Å. The Li(1)-Mo(4) bond length is 2.39 Å. The Li(1)-O(12) bond length is 2.15 Å. The Li(1)-O(13) bond length is 2.25 Å. The Li(1)-O(3) bond length is 2.14 Å. The Li(1)-O(6) bond length is 2.25 Å. The Li(1)-O(8) bond length is 2.25 Å. The Li(1)-O(9) bond length is 2.14 Å. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(5), one O(7), and one O(8) atom. The Sm(1)-O(1) bond length is 2.60 Å. The Sm(1)-O(11) bond length is 2.32 Å. The Sm(1)-O(12) bond length is 2.66 Å. The Sm(1)-O(13) bond length is 2.65 Å. The Sm(1)-O(14) bond length is 2.50 Å. The Sm(1)-O(5) bond length is 2.31 Å. The Sm(1)-O(7) bond length is 2.56 Å. The Sm(1)-O(8) bond length is 2.51 Å. In the second Sm site, Sm(2) is bonded in a distorted hexagonal bipyramidal geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. The Sm(2)-O(1) bond length is 2.55 Å. The Sm(2)-O(11) bond length is 2.29 Å. The Sm(2)-O(12) bond length is 2.60 Å. The Sm(2)-O(2) bond length is 2.55 Å. The Sm(2)-O(3) bond length is 2.60 Å. The Sm(2)-O(4) bond length is 2.55 Å. The Sm(2)-O(5) bond length is 2.28 Å. The Sm(2)-O(9) bond length is 2.61 Å. In the third Sm site, Sm(3) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(14), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. The Sm(3)-O(10) bond length is 2.50 Å. The Sm(3)-O(11) bond length is 2.32 Å. The Sm(3)-O(14) bond length is 2.58 Å. The Sm(3)-O(4) bond length is 2.60 Å. The Sm(3)-O(5) bond length is 2.31 Å. The Sm(3)-O(6) bond length is 2.52 Å. The Sm(3)-O(8) bond length is 2.64 Å. The Sm(3)-O(9) bond length is 2.65 Å. In the fourth Sm site, Sm(4) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(13), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. The Sm(4)-O(10) bond length is 2.56 Å. The Sm(4)-O(11) bond length is 2.32 Å. The Sm(4)-O(13) bond length is 2.52 Å. The Sm(4)-O(2) bond length is 2.60 Å. The Sm(4)-O(3) bond length is 2.66 Å. The Sm(4)-O(5) bond length is 2.31 Å. The Sm(4)-O(6) bond length is 2.65 Å. The Sm(4)-O(7) bond length is 2.50 Å. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one Li(1), one O(10), one O(13), one O(14), one O(6), one O(7), and one O(8) atom. The Mo(1)-O(10) bond length is 2.12 Å. The Mo(1)-O(13) bond length is 2.18 Å. The Mo(1)-O(14) bond length is 2.12 Å. The Mo(1)-O(6) bond length is 2.18 Å. The Mo(1)-O(7) bond length is 2.13 Å. The Mo(1)-O(8) bond length is 2.18 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(12), one O(13), one O(2), one O(3), and one O(7) atom. The Mo(2)-O(1) bond length is 2.02 Å. The Mo(2)-O(12) bond length is 2.09 Å. The Mo(2)-O(13) bond length is 2.07 Å. The Mo(2)-O(2) bond length is 2.09 Å. The Mo(2)-O(3) bond length is 2.13 Å. The Mo(2)-O(7) bond length is 2.02 Å. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(12), one O(14), one O(4), one O(8), and one O(9) atom. The Mo(3)-O(1) bond length is 2.10 Å. The Mo(3)-O(12) bond length is 2.13 Å. The Mo(3)-O(14) bond length is 2.02 Å. The Mo(3)-O(4) bond length is 2.02 Å. The Mo(3)-O(8) bond length is 2.08 Å. The Mo(3)-O(9) bond length is 2.09 Å. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one Li(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. The Mo(4)-O(10) bond length is 2.03 Å. The Mo(4)-O(2) bond length is 2.02 Å. The Mo(4)-O(3) bond length is 2.09 Å. The Mo(4)-O(4) bond length is 2.09 Å. The Mo(4)-O(6) bond length is 2.08 Å. The Mo(4)-O(9) bond length is 2.13 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom. In the fourth O site, O(4) is bonded to one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with four equivalent O(11)Sm4 tetrahedra,  an edgeedge with one O(1)Sm2Mo2 tetrahedra,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra,  an edgeedge with one O(2)Sm2Mo2 tetrahedra,  an edgeedge with one O(4)Sm2Mo2 tetrahedra, and  an edgeedge with one O(7)Sm2Mo2 tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom. In the seventh O site, O(7) is bonded to one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom. In the tenth O site, O(10) is bonded to one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eleventh O site, O(11) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, and corners with four equivalent O(5)Sm4 tetrahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded to one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra.