CuZn(MoO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(14), one O(15), one O(19), and one O(3) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 28-58°. In the second Mo site, Mo(2) is bonded to one O(13), one O(16), one O(20), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and corners with two equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-58°. In the third Mo site, Mo(3) is bonded to one O(11), one O(21), one O(23), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  a cornercorner with one Zn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-64°. In the fourth Mo site, Mo(4) is bonded to one O(12), one O(22), one O(24), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and  a cornercorner with one Zn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 23-47°. In the fifth Mo site, Mo(5) is bonded to one O(17), one O(2), one O(5), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and  a cornercorner with one Zn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-48°. In the sixth Mo site, Mo(6) is bonded to one O(1), one O(10), one O(18), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid,  a cornercorner with one Zn(3)O5 trigonal bipyramid, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 7°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(15), one O(18), one O(20), one O(23), and one O(8) atom to form distorted CuO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), one O(17), one O(19), one O(24), and one O(7) atom to form CuO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra, corners with two equivalent Mo(4)O4 tetrahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. In the third Cu site, Cu(3) is bonded to one O(13), one O(2), one O(21), one O(22), one O(3), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra, corners with two equivalent Mo(5)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(14), one O(21), and one O(4) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 80°. In the second Zn site, Zn(2) is bonded to one O(11), one O(15), one O(3), one O(6), and one O(9) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(12), one O(16), one O(4), and one O(5) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(6) and one Zn(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(5) and one Cu(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(1), one Cu(3), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(1), and one Zn(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(5) and one Zn(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(6) and one Zn(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cu(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(4) and one Cu(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(5), one Cu(3), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mo(6), one Zn(1), and one Zn(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mo(3), one Cu(1), and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mo(4), one Cu(2), and one Zn(3) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Mo(2) and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Mo(1) and one Zn(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Zn(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mo(2), one Cu(2), and one Zn(3) atom. In the seventeenth O site, O(17) is bonded in a linear geometry to one Mo(5) and one Cu(2) atom. In the eighteenth O site, O(18) is bonded in a linear geometry to one Mo(6) and one Cu(1) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(1) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one Mo(3), one Cu(3), and one Zn(1) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mo(4) and one Cu(3) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cu(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mo(4) and one Cu(2) atom.
CuZn(MoO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(14), one O(15), one O(19), and one O(3) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 28-58°. The Mo(1)-O(14) bond length is 1.77 Å. The Mo(1)-O(15) bond length is 1.80 Å. The Mo(1)-O(19) bond length is 1.76 Å. The Mo(1)-O(3) bond length is 1.87 Å. In the second Mo site, Mo(2) is bonded to one O(13), one O(16), one O(20), and one O(4) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and corners with two equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-58°. The Mo(2)-O(13) bond length is 1.75 Å. The Mo(2)-O(16) bond length is 1.81 Å. The Mo(2)-O(20) bond length is 1.77 Å. The Mo(2)-O(4) bond length is 1.88 Å. In the third Mo site, Mo(3) is bonded to one O(11), one O(21), one O(23), and one O(7) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  a cornercorner with one Zn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-64°. The Mo(3)-O(11) bond length is 1.87 Å. The Mo(3)-O(21) bond length is 1.80 Å. The Mo(3)-O(23) bond length is 1.80 Å. The Mo(3)-O(7) bond length is 1.75 Å. In the fourth Mo site, Mo(4) is bonded to one O(12), one O(22), one O(24), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and  a cornercorner with one Zn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 23-47°. The Mo(4)-O(12) bond length is 1.87 Å. The Mo(4)-O(22) bond length is 1.82 Å. The Mo(4)-O(24) bond length is 1.80 Å. The Mo(4)-O(8) bond length is 1.74 Å. In the fifth Mo site, Mo(5) is bonded to one O(17), one O(2), one O(5), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and  a cornercorner with one Zn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-48°. The Mo(5)-O(17) bond length is 1.78 Å. The Mo(5)-O(2) bond length is 1.79 Å. The Mo(5)-O(5) bond length is 1.79 Å. The Mo(5)-O(9) bond length is 1.85 Å. In the sixth Mo site, Mo(6) is bonded to one O(1), one O(10), one O(18), and one O(6) atom to form MoO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid,  a cornercorner with one Zn(3)O5 trigonal bipyramid, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 7°. The Mo(6)-O(1) bond length is 1.77 Å. The Mo(6)-O(10) bond length is 1.84 Å. The Mo(6)-O(18) bond length is 1.79 Å. The Mo(6)-O(6) bond length is 1.80 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(15), one O(18), one O(20), one O(23), and one O(8) atom to form distorted CuO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. The Cu(1)-O(11) bond length is 2.03 Å. The Cu(1)-O(15) bond length is 2.40 Å. The Cu(1)-O(18) bond length is 1.97 Å. The Cu(1)-O(20) bond length is 1.95 Å. The Cu(1)-O(23) bond length is 2.00 Å. The Cu(1)-O(8) bond length is 2.24 Å. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), one O(17), one O(19), one O(24), and one O(7) atom to form CuO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra, corners with two equivalent Mo(4)O4 tetrahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. The Cu(2)-O(12) bond length is 2.01 Å. The Cu(2)-O(16) bond length is 2.31 Å. The Cu(2)-O(17) bond length is 2.01 Å. The Cu(2)-O(19) bond length is 2.01 Å. The Cu(2)-O(24) bond length is 1.98 Å. The Cu(2)-O(7) bond length is 2.22 Å. In the third Cu site, Cu(3) is bonded to one O(13), one O(2), one O(21), one O(22), one O(3), and one O(9) atom to form distorted CuO6 octahedra that share  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(4)O4 tetrahedra, corners with two equivalent Mo(5)O4 tetrahedra,  a cornercorner with one Zn(1)O5 trigonal bipyramid, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. The Cu(3)-O(13) bond length is 2.28 Å. The Cu(3)-O(2) bond length is 1.98 Å. The Cu(3)-O(21) bond length is 2.56 Å. The Cu(3)-O(22) bond length is 1.90 Å. The Cu(3)-O(3) bond length is 1.97 Å. The Cu(3)-O(9) bond length is 2.06 Å. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(10), one O(14), one O(21), and one O(4) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Mo(1)O4 tetrahedra,  a cornercorner with one Mo(2)O4 tetrahedra,  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(6)O4 tetrahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 80°. The Zn(1)-O(1) bond length is 2.03 Å. The Zn(1)-O(10) bond length is 2.09 Å. The Zn(1)-O(14) bond length is 2.07 Å. The Zn(1)-O(21) bond length is 1.97 Å. The Zn(1)-O(4) bond length is 2.06 Å. In the second Zn site, Zn(2) is bonded to one O(11), one O(15), one O(3), one O(6), and one O(9) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(3)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The Zn(2)-O(11) bond length is 2.11 Å. The Zn(2)-O(15) bond length is 1.98 Å. The Zn(2)-O(3) bond length is 2.06 Å. The Zn(2)-O(6) bond length is 2.03 Å. The Zn(2)-O(9) bond length is 2.09 Å. In the third Zn site, Zn(3) is bonded to one O(10), one O(12), one O(16), one O(4), and one O(5) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(4)O4 tetrahedra,  a cornercorner with one Mo(5)O4 tetrahedra,  a cornercorner with one Mo(6)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The Zn(3)-O(10) bond length is 2.08 Å. The Zn(3)-O(12) bond length is 2.14 Å. The Zn(3)-O(16) bond length is 1.97 Å. The Zn(3)-O(4) bond length is 2.05 Å. The Zn(3)-O(5) bond length is 2.03 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mo(6) and one Zn(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(5) and one Cu(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(1), one Cu(3), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(1), and one Zn(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(5) and one Zn(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(6) and one Zn(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cu(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Mo(4) and one Cu(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(5), one Cu(3), and one Zn(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mo(6), one Zn(1), and one Zn(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Mo(3), one Cu(1), and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mo(4), one Cu(2), and one Zn(3) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Mo(2) and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a linear geometry to one Mo(1) and one Zn(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one Zn(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mo(2), one Cu(2), and one Zn(3) atom. In the seventeenth O site, O(17) is bonded in a linear geometry to one Mo(5) and one Cu(2) atom. In the eighteenth O site, O(18) is bonded in a linear geometry to one Mo(6) and one Cu(1) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Mo(1) and one Cu(2) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Mo(2) and one Cu(1) atom. In the twenty-first O site, O(21) is bonded in a distorted bent 150 degrees geometry to one Mo(3), one Cu(3), and one Zn(1) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Mo(4) and one Cu(3) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Mo(3) and one Cu(1) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mo(4) and one Cu(2) atom.