Zn3(BO3)2 crystallizes in the triclinic P-1 space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(2), one O(6), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(11), one O(12), one O(4), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. In the third Zn site, Zn(3) is bonded to one O(1), one O(10), one O(5), and one O(8) atom to form corner-sharing ZnO4 tetrahedra. In the fourth Zn site, Zn(4) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. In the fifth Zn site, Zn(5) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. In the sixth Zn site, Zn(6) is bonded to one O(12), one O(2), one O(3), and one O(8) atom to form 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(12), one O(6), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(2) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), 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(1), one O(3), 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(3), one Zn(5), and one B(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(6), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(4), one Zn(6), and one B(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(2), 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(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(4), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one Zn(4), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Zn(3), one Zn(6), and one B(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zn(1), 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 distorted trigonal planar geometry to one Zn(2), one Zn(5), and one B(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom.
Zn3(BO3)2 crystallizes in the triclinic P-1 space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(10), one O(2), one O(6), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. The Zn(1)-O(10) bond length is 1.96 Å. The Zn(1)-O(2) bond length is 2.04 Å. The Zn(1)-O(6) bond length is 2.02 Å. The Zn(1)-O(9) bond length is 1.99 Å. In the second Zn site, Zn(2) is bonded to one O(11), one O(12), one O(4), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. The Zn(2)-O(11) bond length is 2.03 Å. The Zn(2)-O(12) bond length is 1.98 Å. The Zn(2)-O(4) bond length is 1.97 Å. The Zn(2)-O(7) bond length is 2.02 Å. In the third Zn site, Zn(3) is bonded to one O(1), one O(10), one O(5), and one O(8) atom to form corner-sharing ZnO4 tetrahedra. The Zn(3)-O(1) bond length is 1.98 Å. The Zn(3)-O(10) bond length is 1.98 Å. The Zn(3)-O(5) bond length is 1.96 Å. The Zn(3)-O(8) bond length is 1.96 Å. In the fourth Zn site, Zn(4) is bonded to one O(3), one O(4), one O(6), and one O(7) atom to form corner-sharing ZnO4 tetrahedra. The Zn(4)-O(3) bond length is 1.95 Å. The Zn(4)-O(4) bond length is 2.03 Å. The Zn(4)-O(6) bond length is 2.00 Å. The Zn(4)-O(7) bond length is 1.98 Å. In the fifth Zn site, Zn(5) is bonded to one O(1), one O(11), one O(5), and one O(9) atom to form corner-sharing ZnO4 tetrahedra. The Zn(5)-O(1) bond length is 1.99 Å. The Zn(5)-O(11) bond length is 1.99 Å. The Zn(5)-O(5) bond length is 1.95 Å. The Zn(5)-O(9) bond length is 1.99 Å. In the sixth Zn site, Zn(6) is bonded to one O(12), one O(2), one O(3), and one O(8) atom to form corner-sharing ZnO4 tetrahedra. The Zn(6)-O(12) bond length is 2.02 Å. The Zn(6)-O(2) bond length is 1.96 Å. The Zn(6)-O(3) bond length is 1.97 Å. The Zn(6)-O(8) bond length is 2.04 Å. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(12), one O(6), and one O(8) atom. The B(1)-O(12) bond length is 1.39 Å. The B(1)-O(6) bond length is 1.39 Å. The B(1)-O(8) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(2) atom. The B(2)-O(10) bond length is 1.38 Å. The B(2)-O(11) bond length is 1.38 Å. The B(2)-O(2) bond length is 1.39 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(9) atom. The B(3)-O(5) bond length is 1.38 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(1), one O(3), and one O(4) atom. The B(4)-O(1) bond length is 1.39 Å. The B(4)-O(3) 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(3), one Zn(5), and one B(4) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one Zn(6), and one B(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Zn(4), one Zn(6), and one B(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Zn(2), 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(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(4), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Zn(2), one Zn(4), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Zn(3), one Zn(6), and one B(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Zn(1), 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 distorted trigonal planar geometry to one Zn(2), one Zn(5), and one B(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Zn(2), one Zn(6), and one B(1) atom.