KLi(WO3)6 crystallizes in the triclinic P1 space group. K(1) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(17), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(16), one O(17), and one O(5) atom. There are six inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(13), one O(17), one O(18), one O(3), and one O(4) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the second W site, W(2) is bonded to one O(1), one O(15), one O(16), one O(18), one O(2), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the third W site, W(3) is bonded to one O(10), one O(12), one O(13), one O(4), one O(8), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 3-30°. In the fourth W site, W(4) is bonded to one O(10), one O(11), one O(15), one O(6), one O(7), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. In the fifth W site, W(5) is bonded to one O(11), one O(14), one O(16), one O(2), one O(5), and one O(7) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the sixth W site, W(6) is bonded to one O(12), one O(14), one O(17), one O(3), one O(5), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one K(1), one W(2), and one W(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one W(1), and one W(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one K(1), one W(1), and one W(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one W(5), and one W(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one K(1), one W(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one K(1), one W(4), and one W(5) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one K(1), one W(3), and one W(6) atom. In the ninth O site, O(9) is bonded in a linear geometry to one W(3) and one W(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one W(3) and one W(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one W(4) and one W(5) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one K(1), one W(3), and one W(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one K(1), one W(1), and one W(3) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one W(5) and one W(6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one W(2) and one W(4) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Li(1), one W(2), and one W(5) atom. In the seventeenth O site, O(17) is bonded in a T-shaped geometry to one K(1), one Li(1), one W(1), and one W(6) atom. In the eighteenth O site, O(18) is bonded in a linear geometry to one W(1) and one W(2) atom.
KLi(WO3)6 crystallizes in the triclinic P1 space group. K(1) is bonded in a 9-coordinate geometry to one O(12), one O(13), one O(17), one O(2), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. The K(1)-O(12) bond length is 3.35 Å. The K(1)-O(13) bond length is 3.35 Å. The K(1)-O(17) bond length is 3.37 Å. The K(1)-O(2) bond length is 3.39 Å. The K(1)-O(3) bond length is 3.25 Å. The K(1)-O(4) bond length is 3.27 Å. The K(1)-O(6) bond length is 3.42 Å. The K(1)-O(7) bond length is 3.42 Å. The K(1)-O(8) bond length is 3.27 Å. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(16), one O(17), and one O(5) atom. The Li(1)-O(1) bond length is 2.03 Å. The Li(1)-O(16) bond length is 2.11 Å. The Li(1)-O(17) bond length is 2.12 Å. The Li(1)-O(5) bond length is 2.03 Å. There are six inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(13), one O(17), one O(18), one O(3), and one O(4) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. The W(1)-O(1) bond length is 1.95 Å. The W(1)-O(13) bond length is 1.91 Å. The W(1)-O(17) bond length is 2.00 Å. The W(1)-O(18) bond length is 1.92 Å. The W(1)-O(3) bond length is 1.90 Å. The W(1)-O(4) bond length is 1.95 Å. In the second W site, W(2) is bonded to one O(1), one O(15), one O(16), one O(18), one O(2), and one O(6) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. The W(2)-O(1) bond length is 1.95 Å. The W(2)-O(15) bond length is 2.00 Å. The W(2)-O(16) bond length is 1.93 Å. The W(2)-O(18) bond length is 1.92 Å. The W(2)-O(2) bond length is 1.95 Å. The W(2)-O(6) bond length is 1.87 Å. In the third W site, W(3) is bonded to one O(10), one O(12), one O(13), one O(4), one O(8), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 3-30°. The W(3)-O(10) bond length is 1.93 Å. The W(3)-O(12) bond length is 1.88 Å. The W(3)-O(13) bond length is 1.97 Å. The W(3)-O(4) bond length is 1.91 Å. The W(3)-O(8) bond length is 1.99 Å. The W(3)-O(9) bond length is 1.93 Å. In the fourth W site, W(4) is bonded to one O(10), one O(11), one O(15), one O(6), one O(7), and one O(9) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 3-29°. The W(4)-O(10) bond length is 1.93 Å. The W(4)-O(11) bond length is 1.96 Å. The W(4)-O(15) bond length is 1.88 Å. The W(4)-O(6) bond length is 1.99 Å. The W(4)-O(7) bond length is 1.91 Å. The W(4)-O(9) bond length is 1.94 Å. In the fifth W site, W(5) is bonded to one O(11), one O(14), one O(16), one O(2), one O(5), and one O(7) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. The W(5)-O(11) bond length is 1.91 Å. The W(5)-O(14) bond length is 1.92 Å. The W(5)-O(16) bond length is 1.99 Å. The W(5)-O(2) bond length is 1.90 Å. The W(5)-O(5) bond length is 1.95 Å. The W(5)-O(7) bond length is 1.95 Å. In the sixth W site, W(6) is bonded to one O(12), one O(14), one O(17), one O(3), one O(5), and one O(8) atom to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles range from 1-31°. The W(6)-O(12) bond length is 2.00 Å. The W(6)-O(14) bond length is 1.91 Å. The W(6)-O(17) bond length is 1.93 Å. The W(6)-O(3) bond length is 1.95 Å. The W(6)-O(5) bond length is 1.95 Å. The W(6)-O(8) bond length is 1.87 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one K(1), one W(2), and one W(5) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one K(1), one W(1), and one W(6) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one K(1), one W(1), and one W(3) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Li(1), one W(5), and one W(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one K(1), one W(2), and one W(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one K(1), one W(4), and one W(5) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one K(1), one W(3), and one W(6) atom. In the ninth O site, O(9) is bonded in a linear geometry to one W(3) and one W(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one W(3) and one W(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one W(4) and one W(5) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one K(1), one W(3), and one W(6) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one K(1), one W(1), and one W(3) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one W(5) and one W(6) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one W(2) and one W(4) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Li(1), one W(2), and one W(5) atom. In the seventeenth O site, O(17) is bonded in a T-shaped geometry to one K(1), one Li(1), one W(1), and one W(6) atom. In the eighteenth O site, O(18) is bonded in a linear geometry to one W(1) and one W(2) atom.