Cu2WO4 crystallizes in the triclinic P1 space group. There are four inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. In the second W site, W(2) is bonded to one O(1), one O(13), one O(14), one O(15), one O(5), and one O(8) atom to form distorted edge-sharing WO6 octahedra. In the third W site, W(3) is bonded to one O(11), one O(12), one O(15), one O(3), one O(4), and one O(8) atom to form distorted edge-sharing WO6 octahedra. In the fourth W site, W(4) is bonded to one O(15), one O(16), one O(3), one O(5), one O(6), and one O(7) atom to form distorted edge-sharing WO6 octahedra. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted T-shaped geometry to one O(11), one O(16), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(15) and one O(5) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(10) and one O(6) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(14) and one O(7) atom. In the fifth Cu site, Cu(5) is bonded in a distorted T-shaped geometry to one O(12), one O(2), and one O(3) atom. In the sixth Cu site, Cu(6) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(13), and one O(4) atom. In the seventh Cu site, Cu(7) is bonded in a linear geometry to one O(11) and one O(8) atom. In the eighth Cu site, Cu(8) is bonded in a distorted T-shaped geometry to one O(1), one O(12), and one O(2) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(8) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one W(1), one Cu(5), and one Cu(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(3), one W(4), and one Cu(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(3) and one Cu(6) atom. In the fifth O site, O(5) is bonded to one W(1), one W(2), one W(4), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OCuW3 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one W(1), one W(4), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a linear geometry to one W(4) and one Cu(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one W(2), one W(3), and one Cu(7) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one W(1) and one Cu(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one W(1), one Cu(3), and one Cu(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one W(3), one Cu(1), and one Cu(7) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one W(3), one Cu(5), and one Cu(8) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(6) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one W(2) and one Cu(4) atom. In the fifteenth O site, O(15) is bonded to one W(2), one W(3), one W(4), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OCuW3 tetrahedra. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one W(4) and one Cu(1) atom.
Cu2WO4 crystallizes in the triclinic P1 space group. There are four inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. The W(1)-O(1) bond length is 2.07 Å. The W(1)-O(10) bond length is 1.91 Å. The W(1)-O(2) bond length is 1.85 Å. The W(1)-O(5) bond length is 2.30 Å. The W(1)-O(6) bond length is 2.15 Å. The W(1)-O(9) bond length is 1.77 Å. In the second W site, W(2) is bonded to one O(1), one O(13), one O(14), one O(15), one O(5), and one O(8) atom to form distorted edge-sharing WO6 octahedra. The W(2)-O(1) bond length is 1.99 Å. The W(2)-O(13) bond length is 1.80 Å. The W(2)-O(14) bond length is 1.81 Å. The W(2)-O(15) bond length is 2.23 Å. The W(2)-O(5) bond length is 2.19 Å. The W(2)-O(8) bond length is 1.97 Å. In the third W site, W(3) is bonded to one O(11), one O(12), one O(15), one O(3), one O(4), and one O(8) atom to form distorted edge-sharing WO6 octahedra. The W(3)-O(11) bond length is 1.91 Å. The W(3)-O(12) bond length is 1.85 Å. The W(3)-O(15) bond length is 2.27 Å. The W(3)-O(3) bond length is 2.07 Å. The W(3)-O(4) bond length is 1.78 Å. The W(3)-O(8) bond length is 2.14 Å. In the fourth W site, W(4) is bonded to one O(15), one O(16), one O(3), one O(5), one O(6), and one O(7) atom to form distorted edge-sharing WO6 octahedra. The W(4)-O(15) bond length is 2.19 Å. The W(4)-O(16) bond length is 1.81 Å. The W(4)-O(3) bond length is 1.99 Å. The W(4)-O(5) bond length is 2.22 Å. The W(4)-O(6) bond length is 1.97 Å. The W(4)-O(7) bond length is 1.81 Å. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted T-shaped geometry to one O(11), one O(16), and one O(9) atom. The Cu(1)-O(11) bond length is 1.88 Å. The Cu(1)-O(16) bond length is 1.85 Å. The Cu(1)-O(9) bond length is 2.42 Å. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(15) and one O(5) atom. The Cu(2)-O(15) bond length is 1.91 Å. The Cu(2)-O(5) bond length is 1.91 Å. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(10) and one O(6) atom. The Cu(3)-O(10) bond length is 1.88 Å. The Cu(3)-O(6) bond length is 1.88 Å. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(14) and one O(7) atom. The Cu(4)-O(14) bond length is 1.85 Å. The Cu(4)-O(7) bond length is 1.85 Å. In the fifth Cu site, Cu(5) is bonded in a distorted T-shaped geometry to one O(12), one O(2), and one O(3) atom. The Cu(5)-O(12) bond length is 1.85 Å. The Cu(5)-O(2) bond length is 2.46 Å. The Cu(5)-O(3) bond length is 1.87 Å. In the sixth Cu site, Cu(6) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(13), and one O(4) atom. The Cu(6)-O(10) bond length is 1.93 Å. The Cu(6)-O(13) bond length is 1.89 Å. The Cu(6)-O(4) bond length is 2.10 Å. In the seventh Cu site, Cu(7) is bonded in a linear geometry to one O(11) and one O(8) atom. The Cu(7)-O(11) bond length is 1.88 Å. The Cu(7)-O(8) bond length is 1.88 Å. In the eighth Cu site, Cu(8) is bonded in a distorted T-shaped geometry to one O(1), one O(12), and one O(2) atom. The Cu(8)-O(1) bond length is 1.87 Å. The Cu(8)-O(12) bond length is 2.43 Å. The Cu(8)-O(2) bond length is 1.85 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one W(1), one W(2), and one Cu(8) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one W(1), one Cu(5), and one Cu(8) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one W(3), one W(4), and one Cu(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one W(3) and one Cu(6) atom. In the fifth O site, O(5) is bonded to one W(1), one W(2), one W(4), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OCuW3 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one W(1), one W(4), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a linear geometry to one W(4) and one Cu(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one W(2), one W(3), and one Cu(7) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one W(1) and one Cu(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one W(1), one Cu(3), and one Cu(6) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one W(3), one Cu(1), and one Cu(7) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one W(3), one Cu(5), and one Cu(8) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one W(2) and one Cu(6) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one W(2) and one Cu(4) atom. In the fifteenth O site, O(15) is bonded to one W(2), one W(3), one W(4), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OCuW3 tetrahedra. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one W(4) and one Cu(1) atom.