Zn(CuO2)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(9), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), two equivalent O(11), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. In the third Cu site, Cu(3) is bonded to one O(11), one O(15), two equivalent O(12), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(13), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the fifth Cu site, Cu(5) is bonded to one O(4), one O(8), two equivalent O(15), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. In the sixth Cu site, Cu(6) is bonded to one O(3), one O(7), two equivalent O(16), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. In the seventh Cu site, Cu(7) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. In the eighth Cu site, Cu(8) is bonded to one O(1), one O(5), two equivalent O(13), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(11), two equivalent O(14), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(12), two equivalent O(13), and two equivalent O(4) atoms. In the third Zn site, Zn(3) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(1), two equivalent O(15), and two equivalent O(9) atoms. In the fourth Zn site, Zn(4) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(10), two equivalent O(16), and two equivalent O(2) atoms. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Cu(8), two equivalent Cu(7), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the second O site, O(2) is bonded to one Cu(7), two equivalent Cu(8), and two equivalent Zn(4) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded to one Cu(6), two equivalent Cu(5), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Cu(5), two equivalent Cu(6), and two equivalent Zn(2) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Cu(8), two equivalent Cu(2), one Zn(2), and one Zn(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Cu(7), two equivalent Cu(3), one Zn(1), and one Zn(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Cu(6), two equivalent Cu(4), one Zn(2), and one Zn(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Cu(5), two equivalent Cu(1), one Zn(1), and one Zn(3) atom. In the ninth O site, O(9) is bonded to one Cu(1), two equivalent Cu(4), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Cu(4), two equivalent Cu(1), and two equivalent Zn(4) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Cu(3), two equivalent Cu(2), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Cu(2), two equivalent Cu(3), and two equivalent Zn(2) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Cu(4), two equivalent Cu(8), and two equivalent Zn(2) atoms. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent Cu(7), and two equivalent Zn(1) atoms. In the fifteenth O site, O(15) is bonded to one Cu(3), two equivalent Cu(5), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Cu(2), two equivalent Cu(6), and two equivalent Zn(4) atoms.
Zn(CuO2)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(9), two equivalent O(10), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. The Cu(1)-O(14) bond length is 1.95 Å. The Cu(1)-O(9) bond length is 1.98 Å. Both Cu(1)-O(10) bond lengths are 2.06 Å. Both Cu(1)-O(8) bond lengths are 1.94 Å. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), two equivalent O(11), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. The Cu(2)-O(12) bond length is 1.97 Å. The Cu(2)-O(16) bond length is 1.95 Å. There is one shorter (2.04 Å) and one longer (2.09 Å) Cu(2)-O(11) bond length. There is one shorter (1.93 Å) and one longer (1.95 Å) Cu(2)-O(5) bond length. In the third Cu site, Cu(3) is bonded to one O(11), one O(15), two equivalent O(12), and two equivalent O(6) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. The Cu(3)-O(11) bond length is 1.97 Å. The Cu(3)-O(15) bond length is 1.96 Å. There is one shorter (2.03 Å) and one longer (2.07 Å) Cu(3)-O(12) bond length. There is one shorter (1.94 Å) and one longer (1.95 Å) Cu(3)-O(6) bond length. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(13), two equivalent O(7), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. The Cu(4)-O(10) bond length is 1.97 Å. The Cu(4)-O(13) bond length is 1.95 Å. Both Cu(4)-O(7) bond lengths are 1.95 Å. There is one shorter (2.05 Å) and one longer (2.07 Å) Cu(4)-O(9) bond length. In the fifth Cu site, Cu(5) is bonded to one O(4), one O(8), two equivalent O(15), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-62°. The Cu(5)-O(4) bond length is 1.98 Å. The Cu(5)-O(8) bond length is 1.90 Å. There is one shorter (2.08 Å) and one longer (2.13 Å) Cu(5)-O(15) bond length. There is one shorter (2.07 Å) and one longer (2.09 Å) Cu(5)-O(3) bond length. In the sixth Cu site, Cu(6) is bonded to one O(3), one O(7), two equivalent O(16), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 49-61°. The Cu(6)-O(3) bond length is 1.96 Å. The Cu(6)-O(7) bond length is 1.90 Å. There is one shorter (2.09 Å) and one longer (2.11 Å) Cu(6)-O(16) bond length. There is one shorter (2.08 Å) and one longer (2.09 Å) Cu(6)-O(4) bond length. In the seventh Cu site, Cu(7) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(14) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. The Cu(7)-O(2) bond length is 1.97 Å. The Cu(7)-O(6) bond length is 1.91 Å. There is one shorter (2.06 Å) and one longer (2.09 Å) Cu(7)-O(1) bond length. There is one shorter (2.06 Å) and one longer (2.08 Å) Cu(7)-O(14) bond length. In the eighth Cu site, Cu(8) is bonded to one O(1), one O(5), two equivalent O(13), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 48-61°. The Cu(8)-O(1) bond length is 1.97 Å. The Cu(8)-O(5) bond length is 1.90 Å. There is one shorter (2.08 Å) and one longer (2.12 Å) Cu(8)-O(13) bond length. Both Cu(8)-O(2) bond lengths are 2.08 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(11), two equivalent O(14), and two equivalent O(3) atoms. The Zn(1)-O(6) bond length is 2.47 Å. The Zn(1)-O(8) bond length is 2.41 Å. There is one shorter (2.20 Å) and one longer (2.21 Å) Zn(1)-O(11) bond length. There is one shorter (2.26 Å) and one longer (2.33 Å) Zn(1)-O(14) bond length. There is one shorter (2.21 Å) and one longer (2.25 Å) Zn(1)-O(3) bond length. In the second Zn site, Zn(2) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(12), two equivalent O(13), and two equivalent O(4) atoms. The Zn(2)-O(5) bond length is 2.49 Å. The Zn(2)-O(7) bond length is 2.40 Å. There is one shorter (2.24 Å) and one longer (2.27 Å) Zn(2)-O(12) bond length. There is one shorter (2.24 Å) and one longer (2.28 Å) Zn(2)-O(13) bond length. There is one shorter (2.20 Å) and one longer (2.24 Å) Zn(2)-O(4) bond length. In the third Zn site, Zn(3) is bonded in a 8-coordinate geometry to one O(6), one O(8), two equivalent O(1), two equivalent O(15), and two equivalent O(9) atoms. The Zn(3)-O(6) bond length is 2.41 Å. The Zn(3)-O(8) bond length is 2.54 Å. Both Zn(3)-O(1) bond lengths are 2.24 Å. There is one shorter (2.24 Å) and one longer (2.26 Å) Zn(3)-O(15) bond length. There is one shorter (2.22 Å) and one longer (2.26 Å) Zn(3)-O(9) bond length. In the fourth Zn site, Zn(4) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(10), two equivalent O(16), and two equivalent O(2) atoms. The Zn(4)-O(5) bond length is 2.42 Å. The Zn(4)-O(7) bond length is 2.48 Å. There is one shorter (2.22 Å) and one longer (2.25 Å) Zn(4)-O(10) bond length. There is one shorter (2.23 Å) and one longer (2.27 Å) Zn(4)-O(16) bond length. There is one shorter (2.21 Å) and one longer (2.24 Å) Zn(4)-O(2) bond length. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Cu(8), two equivalent Cu(7), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the second O site, O(2) is bonded to one Cu(7), two equivalent Cu(8), and two equivalent Zn(4) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the third O site, O(3) is bonded to one Cu(6), two equivalent Cu(5), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Cu(5), two equivalent Cu(6), and two equivalent Zn(2) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Cu(8), two equivalent Cu(2), one Zn(2), and one Zn(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Cu(7), two equivalent Cu(3), one Zn(1), and one Zn(3) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Cu(6), two equivalent Cu(4), one Zn(2), and one Zn(4) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Cu(5), two equivalent Cu(1), one Zn(1), and one Zn(3) atom. In the ninth O site, O(9) is bonded to one Cu(1), two equivalent Cu(4), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the tenth O site, O(10) is bonded to one Cu(4), two equivalent Cu(1), and two equivalent Zn(4) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the eleventh O site, O(11) is bonded to one Cu(3), two equivalent Cu(2), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the twelfth O site, O(12) is bonded to one Cu(2), two equivalent Cu(3), and two equivalent Zn(2) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Cu(4), two equivalent Cu(8), and two equivalent Zn(2) atoms. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Cu(1), two equivalent Cu(7), and two equivalent Zn(1) atoms. In the fifteenth O site, O(15) is bonded to one Cu(3), two equivalent Cu(5), and two equivalent Zn(3) atoms to form a mixture of distorted edge and corner-sharing OZn2Cu3 trigonal bipyramids. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Cu(2), two equivalent Cu(6), and two equivalent Zn(4) atoms.