MgGd2Tl2(WO4)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Tl(2), one O(1), one O(13), one O(14), one O(16), and one O(7) atom. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(15), one O(5), one O(6), one O(8), and one O(9) atom. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(5), one O(6), and one O(7) atom. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(13), one O(4), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. In the second W site, W(2) is bonded to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. In the third W site, W(3) is bonded to one O(11), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. In the fourth W site, W(4) is bonded to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(6) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one O(1) atom. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one Mg(1), one O(11), one O(2), one O(4), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), one W(4), and one Tl(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one W(3), and one Tl(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one W(1), one W(4), and one Tl(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Gd(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Gd(1) and one W(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Gd(1), one W(1), one W(2), and one Tl(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Gd(2), one W(1), and one W(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Gd(1), one W(3), one W(4), and one Tl(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Gd(2), one W(3), and one W(4) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Mg(1), one Gd(1), and one W(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Gd(2), and one W(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Gd(1) and one W(3) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Mg(1), one Gd(2), and one W(4) atom.
MgGd2Tl2(WO4)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one Tl(2), one O(1), one O(13), one O(14), one O(16), and one O(7) atom. The Mg(1)-Tl(2) bond length is 2.75 Å. The Mg(1)-O(1) bond length is 2.09 Å. The Mg(1)-O(13) bond length is 2.05 Å. The Mg(1)-O(14) bond length is 2.02 Å. The Mg(1)-O(16) bond length is 2.08 Å. The Mg(1)-O(7) bond length is 2.48 Å. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one O(11), one O(13), one O(15), one O(5), one O(6), one O(8), and one O(9) atom. The Gd(1)-O(11) bond length is 2.38 Å. The Gd(1)-O(13) bond length is 2.22 Å. The Gd(1)-O(15) bond length is 2.35 Å. The Gd(1)-O(5) bond length is 2.60 Å. The Gd(1)-O(6) bond length is 2.45 Å. The Gd(1)-O(8) bond length is 2.44 Å. The Gd(1)-O(9) bond length is 2.45 Å. In the second Gd site, Gd(2) is bonded in a 7-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(5), one O(6), and one O(7) atom. The Gd(2)-O(10) bond length is 2.32 Å. The Gd(2)-O(12) bond length is 2.31 Å. The Gd(2)-O(14) bond length is 2.41 Å. The Gd(2)-O(16) bond length is 2.30 Å. The Gd(2)-O(5) bond length is 2.52 Å. The Gd(2)-O(6) bond length is 2.48 Å. The Gd(2)-O(7) bond length is 2.44 Å. There are four inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(10), one O(13), one O(4), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. The W(1)-O(1) bond length is 2.08 Å. The W(1)-O(10) bond length is 2.03 Å. The W(1)-O(13) bond length is 1.97 Å. The W(1)-O(4) bond length is 2.03 Å. The W(1)-O(7) bond length is 1.86 Å. The W(1)-O(9) bond length is 2.16 Å. In the second W site, W(2) is bonded to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. The W(2)-O(10) bond length is 2.08 Å. The W(2)-O(14) bond length is 1.88 Å. The W(2)-O(2) bond length is 1.90 Å. The W(2)-O(3) bond length is 2.10 Å. The W(2)-O(8) bond length is 1.84 Å. The W(2)-O(9) bond length is 2.03 Å. In the third W site, W(3) is bonded to one O(11), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. The W(3)-O(11) bond length is 2.13 Å. The W(3)-O(12) bond length is 1.98 Å. The W(3)-O(15) bond length is 1.83 Å. The W(3)-O(2) bond length is 2.17 Å. The W(3)-O(3) bond length is 1.89 Å. The W(3)-O(5) bond length is 1.89 Å. In the fourth W site, W(4) is bonded to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(6) atom to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. The W(4)-O(1) bond length is 2.02 Å. The W(4)-O(11) bond length is 2.06 Å. The W(4)-O(12) bond length is 2.15 Å. The W(4)-O(16) bond length is 1.97 Å. The W(4)-O(4) bond length is 2.07 Å. The W(4)-O(6) bond length is 1.89 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one O(1) atom. The Tl(1)-O(1) bond length is 2.85 Å. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one Mg(1), one O(11), one O(2), one O(4), and one O(9) atom. The Tl(2)-O(11) bond length is 2.77 Å. The Tl(2)-O(2) bond length is 2.63 Å. The Tl(2)-O(4) bond length is 2.33 Å. The Tl(2)-O(9) bond length is 2.61 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one W(1), one W(4), and one Tl(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one W(2), one W(3), and one Tl(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one W(2) and one W(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one W(1), one W(4), and one Tl(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Gd(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Gd(1) and one W(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal pyramidal geometry to one Gd(1), one W(1), one W(2), and one Tl(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Gd(2), one W(1), and one W(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Gd(1), one W(3), one W(4), and one Tl(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Gd(2), one W(3), and one W(4) atom. In the thirteenth O site, O(13) is bonded in a distorted T-shaped geometry to one Mg(1), one Gd(1), and one W(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mg(1), one Gd(2), and one W(2) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Gd(1) and one W(3) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Mg(1), one Gd(2), and one W(4) atom.