LiMg4Al(MoO4)6 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(18), one O(19), one O(23), one O(3), and one O(5) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and  an edgeedge with one Mg(4)O6 octahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(13), one O(14), one O(15), one O(17), one O(4), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the second Mg site, Mg(2) is bonded to one O(10), one O(13), one O(14), one O(16), one O(18), and one O(3) atom to form MgO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the third Mg site, Mg(3) is bonded to one O(11), one O(2), one O(20), one O(21), one O(24), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. In the fourth Mg site, Mg(4) is bonded to one O(1), one O(12), one O(19), one O(22), one O(23), and one O(7) atom to form MgO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(5)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(15), one O(17), one O(5), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-59°. In the second Mo site, Mo(2) is bonded to one O(16), one O(18), one O(6), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-45°. In the third Mo site, Mo(3) is bonded to one O(11), one O(19), one O(3), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Mg(4)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-57°. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(12), one O(20), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Mg(4)O6 octahedra, and corners with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-64°. In the fifth Mo site, Mo(5) is bonded to one O(1), one O(13), one O(21), and one O(23) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(4)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-62°. In the sixth Mo site, Mo(6) is bonded to one O(14), one O(2), one O(22), and one O(24) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(4)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-62°. Al(1) is bonded to one O(17), one O(20), one O(24), one O(4), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(4)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Mg(3)O6 octahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(4) and one Mo(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mg(3) and one Mo(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(2), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(4), and one Al(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one Al(1) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mg(4) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mg(3) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Mg(1) and one Mo(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Mg(2) and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mg(3) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mg(4) and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mo(2) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one Al(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(2), and one Mo(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(4), and one Mo(3) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Mg(3), one Mo(4), and one Al(1) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mg(3) and one Mo(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mg(4) and one Mo(6) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(4), and one Mo(5) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Mg(3), one Mo(6), and one Al(1) atom.
LiMg4Al(MoO4)6 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(18), one O(19), one O(23), one O(3), and one O(5) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and  an edgeedge with one Mg(4)O6 octahedra. The Li(1)-O(18) bond length is 2.21 Å. The Li(1)-O(19) bond length is 2.05 Å. The Li(1)-O(23) bond length is 2.08 Å. The Li(1)-O(3) bond length is 2.12 Å. The Li(1)-O(5) bond length is 1.99 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(13), one O(14), one O(15), one O(17), one O(4), and one O(9) atom to form MgO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The Mg(1)-O(13) bond length is 2.02 Å. The Mg(1)-O(14) bond length is 2.25 Å. The Mg(1)-O(15) bond length is 2.03 Å. The Mg(1)-O(17) bond length is 2.17 Å. The Mg(1)-O(4) bond length is 2.13 Å. The Mg(1)-O(9) bond length is 2.01 Å. In the second Mg site, Mg(2) is bonded to one O(10), one O(13), one O(14), one O(16), one O(18), and one O(3) atom to form MgO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Mg(2)-O(10) bond length is 2.11 Å. The Mg(2)-O(13) bond length is 2.13 Å. The Mg(2)-O(14) bond length is 2.07 Å. The Mg(2)-O(16) bond length is 2.07 Å. The Mg(2)-O(18) bond length is 2.12 Å. The Mg(2)-O(3) bond length is 2.03 Å. In the third Mg site, Mg(3) is bonded to one O(11), one O(2), one O(20), one O(21), one O(24), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. The Mg(3)-O(11) bond length is 2.03 Å. The Mg(3)-O(2) bond length is 2.08 Å. The Mg(3)-O(20) bond length is 2.26 Å. The Mg(3)-O(21) bond length is 2.03 Å. The Mg(3)-O(24) bond length is 2.13 Å. The Mg(3)-O(8) bond length is 2.15 Å. In the fourth Mg site, Mg(4) is bonded to one O(1), one O(12), one O(19), one O(22), one O(23), and one O(7) atom to form MgO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(5)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Mg(4)-O(1) bond length is 2.08 Å. The Mg(4)-O(12) bond length is 2.13 Å. The Mg(4)-O(19) bond length is 2.09 Å. The Mg(4)-O(22) bond length is 2.17 Å. The Mg(4)-O(23) bond length is 2.07 Å. The Mg(4)-O(7) bond length is 2.12 Å. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(15), one O(17), one O(5), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 11-59°. The Mo(1)-O(15) bond length is 1.78 Å. The Mo(1)-O(17) bond length is 1.91 Å. The Mo(1)-O(5) bond length is 1.75 Å. The Mo(1)-O(7) bond length is 1.78 Å. In the second Mo site, Mo(2) is bonded to one O(16), one O(18), one O(6), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-45°. The Mo(2)-O(16) bond length is 1.77 Å. The Mo(2)-O(18) bond length is 1.79 Å. The Mo(2)-O(6) bond length is 1.86 Å. The Mo(2)-O(8) bond length is 1.78 Å. In the third Mo site, Mo(3) is bonded to one O(11), one O(19), one O(3), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Mg(4)O6 octahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-57°. The Mo(3)-O(11) bond length is 1.77 Å. The Mo(3)-O(19) bond length is 1.81 Å. The Mo(3)-O(3) bond length is 1.83 Å. The Mo(3)-O(9) bond length is 1.78 Å. In the fourth Mo site, Mo(4) is bonded to one O(10), one O(12), one O(20), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra,  a cornercorner with one Mg(4)O6 octahedra, and corners with two equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-64°. The Mo(4)-O(10) bond length is 1.75 Å. The Mo(4)-O(12) bond length is 1.74 Å. The Mo(4)-O(20) bond length is 1.86 Å. The Mo(4)-O(4) bond length is 1.88 Å. In the fifth Mo site, Mo(5) is bonded to one O(1), one O(13), one O(21), and one O(23) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(3)O6 octahedra, corners with two equivalent Mg(4)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-62°. The Mo(5)-O(1) bond length is 1.79 Å. The Mo(5)-O(13) bond length is 1.85 Å. The Mo(5)-O(21) bond length is 1.77 Å. The Mo(5)-O(23) bond length is 1.80 Å. In the sixth Mo site, Mo(6) is bonded to one O(14), one O(2), one O(22), and one O(24) atom to form MoO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mg(2)O6 octahedra,  a cornercorner with one Mg(4)O6 octahedra, corners with two equivalent Mg(3)O6 octahedra, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 24-62°. The Mo(6)-O(14) bond length is 1.80 Å. The Mo(6)-O(2) bond length is 1.78 Å. The Mo(6)-O(22) bond length is 1.76 Å. The Mo(6)-O(24) bond length is 1.88 Å. Al(1) is bonded to one O(17), one O(20), one O(24), one O(4), and one O(6) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(4)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, and  an edgeedge with one Mg(3)O6 octahedra. The Al(1)-O(17) bond length is 1.82 Å. The Al(1)-O(20) bond length is 1.91 Å. The Al(1)-O(24) bond length is 1.86 Å. The Al(1)-O(4) bond length is 2.01 Å. The Al(1)-O(6) bond length is 1.80 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mg(4) and one Mo(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mg(3) and one Mo(6) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(2), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(4), and one Al(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(2) and one Al(1) atom. In the seventh O site, O(7) is bonded in a linear geometry to one Mg(4) and one Mo(1) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Mg(3) and one Mo(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Mg(1) and one Mo(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Mg(2) and one Mo(4) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mg(3) and one Mo(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mg(4) and one Mo(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one Mo(5) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(2), and one Mo(6) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mo(2) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mo(1), and one Al(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(2), and one Mo(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(4), and one Mo(3) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Mg(3), one Mo(4), and one Al(1) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Mg(3) and one Mo(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mg(4) and one Mo(6) atom. In the twenty-third O site, O(23) is bonded in a distorted trigonal planar geometry to one Li(1), one Mg(4), and one Mo(5) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal planar geometry to one Mg(3), one Mo(6), and one Al(1) atom.