Cs2MgTm2(WO4)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 13-coordinate geometry to one Mg(1), one O(1), one O(10), one O(12), one O(13), one O(14), one O(15), one O(16), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(15), one O(2), one O(3), one O(6), one O(8), and one O(9) atom. Mg(1) is bonded in a 4-coordinate geometry to one Cs(1), one O(16), one O(3), one O(4), and one O(8) atom. There are two inequivalent Tm sites. In the first Tm site, Tm(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 Tm site, Tm(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 37-49°. 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 37-50°. 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 37-50°. 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 distorted corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-49°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(1), and one W(4) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Cs(1), one Cs(2), one W(2), and one W(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), one Mg(1), one W(2), and one W(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one W(1), and one W(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Cs(1), one Tm(1), one Tm(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Cs(2), one Tm(1), one Tm(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Tm(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cs(2), one Mg(1), one Tm(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Cs(2), one Tm(1), one W(1), and one W(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), one W(1), and one W(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Tm(1), one W(3), and one W(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), one W(3), and one W(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Tm(1), and one W(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), and one W(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), one Tm(1), and one W(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one Tm(2), and one W(4) atom.
Cs2MgTm2(WO4)4 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 13-coordinate geometry to one Mg(1), one O(1), one O(10), one O(12), one O(13), one O(14), one O(15), one O(16), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. The Cs(1)-Mg(1) bond length is 2.89 Å. The Cs(1)-O(1) bond length is 2.92 Å. The Cs(1)-O(10) bond length is 3.26 Å. The Cs(1)-O(12) bond length is 3.18 Å. The Cs(1)-O(13) bond length is 3.66 Å. The Cs(1)-O(14) bond length is 2.80 Å. The Cs(1)-O(15) bond length is 3.58 Å. The Cs(1)-O(16) bond length is 3.01 Å. The Cs(1)-O(2) bond length is 2.84 Å. The Cs(1)-O(3) bond length is 3.34 Å. The Cs(1)-O(4) bond length is 3.22 Å. The Cs(1)-O(5) bond length is 3.03 Å. The Cs(1)-O(7) bond length is 3.00 Å. In the second Cs site, Cs(2) is bonded in a 8-coordinate geometry to one O(1), one O(13), one O(15), one O(2), one O(3), one O(6), one O(8), and one O(9) atom. The Cs(2)-O(1) bond length is 2.90 Å. The Cs(2)-O(13) bond length is 2.96 Å. The Cs(2)-O(15) bond length is 2.91 Å. The Cs(2)-O(2) bond length is 2.96 Å. The Cs(2)-O(3) bond length is 3.13 Å. The Cs(2)-O(6) bond length is 2.94 Å. The Cs(2)-O(8) bond length is 3.03 Å. The Cs(2)-O(9) bond length is 3.12 Å. Mg(1) is bonded in a 4-coordinate geometry to one Cs(1), one O(16), one O(3), one O(4), and one O(8) atom. The Mg(1)-O(16) bond length is 2.02 Å. The Mg(1)-O(3) bond length is 2.09 Å. The Mg(1)-O(4) bond length is 2.03 Å. The Mg(1)-O(8) bond length is 1.97 Å. There are two inequivalent Tm sites. In the first Tm site, Tm(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 Tm(1)-O(11) bond length is 2.28 Å. The Tm(1)-O(13) bond length is 2.28 Å. The Tm(1)-O(15) bond length is 2.27 Å. The Tm(1)-O(5) bond length is 2.77 Å. The Tm(1)-O(6) bond length is 2.43 Å. The Tm(1)-O(8) bond length is 2.22 Å. The Tm(1)-O(9) bond length is 2.33 Å. In the second Tm site, Tm(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 Tm(2)-O(10) bond length is 2.35 Å. The Tm(2)-O(12) bond length is 2.28 Å. The Tm(2)-O(14) bond length is 2.27 Å. The Tm(2)-O(16) bond length is 2.22 Å. The Tm(2)-O(5) bond length is 2.42 Å. The Tm(2)-O(6) bond length is 2.75 Å. The Tm(2)-O(7) bond length is 2.27 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 37-49°. The W(1)-O(1) bond length is 1.94 Å. The W(1)-O(10) bond length is 2.14 Å. The W(1)-O(13) bond length is 1.85 Å. The W(1)-O(4) bond length is 2.05 Å. The W(1)-O(7) bond length is 1.83 Å. The W(1)-O(9) bond length is 2.07 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 37-50°. The W(2)-O(10) bond length is 2.09 Å. The W(2)-O(14) bond length is 1.85 Å. The W(2)-O(2) bond length is 2.01 Å. The W(2)-O(3) bond length is 2.14 Å. The W(2)-O(8) bond length is 2.00 Å. The W(2)-O(9) bond length is 2.09 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 37-50°. The W(3)-O(11) bond length is 2.13 Å. The W(3)-O(12) bond length is 2.01 Å. The W(3)-O(15) bond length is 1.84 Å. The W(3)-O(2) bond length is 1.97 Å. The W(3)-O(3) bond length is 2.03 Å. The W(3)-O(5) bond length is 1.88 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 distorted corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 37-49°. The W(4)-O(1) bond length is 2.03 Å. The W(4)-O(11) bond length is 2.04 Å. The W(4)-O(12) bond length is 2.11 Å. The W(4)-O(16) bond length is 2.00 Å. The W(4)-O(4) bond length is 2.11 Å. The W(4)-O(6) bond length is 1.87 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Cs(1), one Cs(2), one W(1), and one W(4) atom. In the second O site, O(2) is bonded in a distorted trigonal pyramidal geometry to one Cs(1), one Cs(2), one W(2), and one W(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), one Mg(1), one W(2), and one W(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one W(1), and one W(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Cs(1), one Tm(1), one Tm(2), and one W(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Cs(2), one Tm(1), one Tm(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Tm(2), and one W(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cs(2), one Mg(1), one Tm(1), and one W(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Cs(2), one Tm(1), one W(1), and one W(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), one W(1), and one W(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Tm(1), one W(3), and one W(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), one W(3), and one W(4) atom. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), one Tm(1), and one W(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Cs(1), one Tm(2), and one W(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), one Tm(1), and one W(3) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Cs(1), one Mg(1), one Tm(2), and one W(4) atom.