CdZn2(BO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form distorted CdO4 trigonal pyramids that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent Zn(3)O4 tetrahedra. In the second Cd site, Cd(2) is bonded to one O(11), one O(2), one O(6), and one O(8) atom to form distorted CdO4 tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra and corners with two equivalent Zn(4)O4 tetrahedra. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent Cd(1)O4 trigonal pyramids. In the third Zn site, Zn(3) is bonded to one O(1), one O(11), one O(5), and one O(8) atom to form ZnO4 tetrahedra that share corners with two equivalent Cd(2)O4 tetrahedra and corners with two equivalent Cd(1)O4 trigonal pyramids. In the fourth Zn site, Zn(4) is bonded to one O(12), one O(2), one O(6), and one O(9) atom to form distorted ZnO4 tetrahedra that share corners with two equivalent Cd(2)O4 tetrahedra and corners with two equivalent Zn(1)O4 tetrahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Zn(3), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cd(2), one Zn(4), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Zn(3), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cd(2), one Zn(4), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Zn(2), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2), one Zn(3), and one B(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Cd(1), one Zn(2), and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2), one Zn(3), and one B(4) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(4), and one B(4) atom.
CdZn2(BO3)2 crystallizes in the triclinic P1 space group. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form distorted CdO4 trigonal pyramids that share corners with two equivalent Zn(2)O4 tetrahedra and corners with two equivalent Zn(3)O4 tetrahedra. The Cd(1)-O(1) bond length is 2.18 Å. The Cd(1)-O(10) bond length is 2.19 Å. The Cd(1)-O(5) bond length is 2.26 Å. The Cd(1)-O(7) bond length is 2.28 Å. In the second Cd site, Cd(2) is bonded to one O(11), one O(2), one O(6), and one O(8) atom to form distorted CdO4 tetrahedra that share corners with two equivalent Zn(3)O4 tetrahedra and corners with two equivalent Zn(4)O4 tetrahedra. The Cd(2)-O(11) bond length is 2.18 Å. The Cd(2)-O(2) bond length is 2.19 Å. The Cd(2)-O(6) bond length is 2.31 Å. The Cd(2)-O(8) bond length is 2.24 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(12), one O(3), one O(4), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(12) bond length is 1.99 Å. The Zn(1)-O(3) bond length is 2.00 Å. The Zn(1)-O(4) bond length is 2.09 Å. The Zn(1)-O(9) bond length is 2.06 Å. In the second Zn site, Zn(2) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with two equivalent Cd(1)O4 trigonal pyramids. The Zn(2)-O(10) bond length is 2.04 Å. The Zn(2)-O(3) bond length is 2.07 Å. The Zn(2)-O(4) bond length is 2.00 Å. The Zn(2)-O(7) bond length is 1.99 Å. In the third Zn site, Zn(3) is bonded to one O(1), one O(11), one O(5), and one O(8) atom to form ZnO4 tetrahedra that share corners with two equivalent Cd(2)O4 tetrahedra and corners with two equivalent Cd(1)O4 trigonal pyramids. The Zn(3)-O(1) bond length is 2.05 Å. The Zn(3)-O(11) bond length is 2.00 Å. The Zn(3)-O(5) bond length is 1.96 Å. The Zn(3)-O(8) bond length is 1.95 Å. In the fourth Zn site, Zn(4) is bonded to one O(12), one O(2), one O(6), and one O(9) atom to form distorted ZnO4 tetrahedra that share corners with two equivalent Cd(2)O4 tetrahedra and corners with two equivalent Zn(1)O4 tetrahedra. The Zn(4)-O(12) bond length is 2.02 Å. The Zn(4)-O(2) bond length is 2.00 Å. The Zn(4)-O(6) bond length is 1.95 Å. The Zn(4)-O(9) bond length is 1.97 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The B(2)-O(4) bond length is 1.39 Å. The B(2)-O(5) bond length is 1.38 Å. The B(2)-O(6) bond length is 1.39 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. The B(3)-O(7) bond length is 1.40 Å. The B(3)-O(8) bond length is 1.38 Å. The B(3)-O(9) bond length is 1.39 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(12) atom. The B(4)-O(10) bond length is 1.38 Å. The B(4)-O(11) bond length is 1.39 Å. The B(4)-O(12) bond length is 1.39 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Zn(3), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Cd(2), one Zn(4), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Zn(3), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cd(2), one Zn(4), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Cd(1), one Zn(2), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2), one Zn(3), and one B(3) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Cd(1), one Zn(2), and one B(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Cd(2), one Zn(3), and one B(4) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(4), and one B(4) atom.