Zn3(BO3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form corner-sharing ZnO4 tetrahedra. There are two 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. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Zn(3) and one B(2) atom.
Zn3(BO3)2 crystallizes in the monoclinic C2/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(2) bond length is 2.02 Å. The Zn(1)-O(3) bond length is 1.94 Å. The Zn(1)-O(4) bond length is 2.03 Å. The Zn(1)-O(6) bond length is 1.99 Å. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form a mixture of corner and edge-sharing ZnO4 tetrahedra. The Zn(2)-O(2) bond length is 1.96 Å. The Zn(2)-O(3) bond length is 1.97 Å. There is one shorter (2.00 Å) and one longer (2.04 Å) Zn(2)-O(1) bond length. In the third Zn site, Zn(3) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form corner-sharing ZnO4 tetrahedra. The Zn(3)-O(4) bond length is 2.01 Å. The Zn(3)-O(6) bond length is 1.96 Å. There is one shorter (1.98 Å) and one longer (2.00 Å) Zn(3)-O(5) bond length. There are two 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 1.38 Å. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.39 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 1.39 Å. The B(2)-O(6) bond length is 1.39 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one B(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the third O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the fourth O site, O(3) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one B(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(3), and one B(2) atom. In the sixth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Zn(3) and one B(2) atom.