Zn3(BO3)2 crystallizes in the monoclinic Cc space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one O(11), one O(12), one O(4), and one O(6) atom to form a mixture of edge and corner-sharing ZnO4 tetrahedra. In the fifth Zn site, Zn(5) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the sixth Zn site, Zn(6) is bonded to one O(1), one O(12), one O(2), and one O(6) atom to form a mixture of edge and corner-sharing ZnO4 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(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(8) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one Zn(5), and one B(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Zn(3), one Zn(5), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(4), one Zn(6), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(5), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zn(3), one Zn(5), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Zn(4), one Zn(6), and one B(4) atom.
Zn3(BO3)2 crystallizes in the monoclinic Cc space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(10) bond length is 1.99 Å. The Zn(1)-O(11) bond length is 1.94 Å. The Zn(1)-O(4) bond length is 2.02 Å. The Zn(1)-O(8) bond length is 2.03 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. The Zn(2)-O(1) bond length is 2.02 Å. The Zn(2)-O(2) bond length is 1.94 Å. The Zn(2)-O(3) bond length is 2.03 Å. The Zn(2)-O(7) bond length is 1.99 Å. In the third Zn site, Zn(3) is bonded to one O(10), one O(5), one O(8), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. The Zn(3)-O(10) bond length is 1.96 Å. The Zn(3)-O(5) bond length is 1.98 Å. The Zn(3)-O(8) bond length is 2.01 Å. The Zn(3)-O(9) bond length is 2.00 Å. In the fourth Zn site, Zn(4) is bonded to one O(11), one O(12), one O(4), and one O(6) atom to form a mixture of edge and corner-sharing ZnO4 tetrahedra. The Zn(4)-O(11) bond length is 1.97 Å. The Zn(4)-O(12) bond length is 2.00 Å. The Zn(4)-O(4) bond length is 1.95 Å. The Zn(4)-O(6) bond length is 2.04 Å. In the fifth Zn site, Zn(5) is bonded to one O(3), one O(5), one O(7), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. The Zn(5)-O(3) bond length is 2.01 Å. The Zn(5)-O(5) bond length is 2.00 Å. The Zn(5)-O(7) bond length is 1.96 Å. The Zn(5)-O(9) bond length is 1.98 Å. In the sixth Zn site, Zn(6) is bonded to one O(1), one O(12), one O(2), and one O(6) atom to form a mixture of edge and corner-sharing ZnO4 tetrahedra. The Zn(6)-O(1) bond length is 1.95 Å. The Zn(6)-O(12) bond length is 2.04 Å. The Zn(6)-O(2) bond length is 1.96 Å. The Zn(6)-O(6) bond length is 2.00 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(6) 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(6) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(5), and one O(8) atom. The B(2)-O(10) bond length is 1.38 Å. The B(2)-O(5) bond length is 1.39 Å. The B(2)-O(8) bond length is 1.39 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(3), one O(7), and one O(9) atom. The B(3)-O(3) bond length is 1.39 Å. The B(3)-O(7) bond length is 1.39 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(11), one O(12), and one O(4) atom. The B(4)-O(11) bond length is 1.38 Å. The B(4)-O(12) bond length is 1.38 Å. The B(4)-O(4) bond length is 1.39 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one Zn(5), and one B(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Zn(3), one Zn(5), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(4), one Zn(6), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(5), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zn(3), one Zn(5), and one B(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Zn(1), one Zn(4), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Zn(4), one Zn(6), and one B(4) atom.