Zn3BO5 crystallizes in the orthorhombic Pbam space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-65°. In the third Zn site, Zn(3) is bonded to two equivalent O(5) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the fourth Zn site, Zn(4) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 19°. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share corners with three equivalent O(1)Zn5 square pyramids, corners with three equivalent O(5)Zn4 tetrahedra, and  an edgeedge with one O(1)Zn5 square pyramid. In the second O site, O(1) is bonded to one Zn(1), two equivalent Zn(2), and two equivalent Zn(4) atoms to form OZn5 square pyramids that share corners with two equivalent O(1)Zn5 square pyramids, corners with three equivalent O(5)Zn4 tetrahedra, edges with three equivalent O(1)Zn5 square pyramids, and  an edgeedge with one O(5)Zn4 tetrahedra. In the third O site, O(2) is bonded in a rectangular see-saw-like geometry to one Zn(2), two equivalent Zn(3), and one B(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Zn(4), two equivalent Zn(1), and one B(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Zn(2), two equivalent Zn(1), and one B(1) atom.
Zn3BO5 crystallizes in the orthorhombic Pbam space group. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. The Zn(1)-O(1) bond length is 2.04 Å. The Zn(1)-O(5) bond length is 1.95 Å. Both Zn(1)-O(3) bond lengths are 2.19 Å. Both Zn(1)-O(4) bond lengths are 2.20 Å. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-65°. The Zn(2)-O(2) bond length is 2.16 Å. The Zn(2)-O(4) bond length is 2.11 Å. Both Zn(2)-O(1) bond lengths are 2.19 Å. Both Zn(2)-O(5) bond lengths are 2.03 Å. In the third Zn site, Zn(3) is bonded to two equivalent O(5) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 59°. Both Zn(3)-O(5) bond lengths are 2.02 Å. All Zn(3)-O(2) bond lengths are 2.17 Å. In the fourth Zn site, Zn(4) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles are 19°. Both Zn(4)-O(3) bond lengths are 2.15 Å. All Zn(4)-O(1) bond lengths are 2.10 Å. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. The B(1)-O(2) bond length is 1.38 Å. The B(1)-O(3) bond length is 1.39 Å. The B(1)-O(4) bond length is 1.39 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded to one Zn(1), one Zn(3), and two equivalent Zn(2) atoms to form OZn4 tetrahedra that share corners with three equivalent O(1)Zn5 square pyramids, corners with three equivalent O(5)Zn4 tetrahedra, and  an edgeedge with one O(1)Zn5 square pyramid. In the second O site, O(1) is bonded to one Zn(1), two equivalent Zn(2), and two equivalent Zn(4) atoms to form OZn5 square pyramids that share corners with two equivalent O(1)Zn5 square pyramids, corners with three equivalent O(5)Zn4 tetrahedra, edges with three equivalent O(1)Zn5 square pyramids, and  an edgeedge with one O(5)Zn4 tetrahedra. In the third O site, O(2) is bonded in a rectangular see-saw-like geometry to one Zn(2), two equivalent Zn(3), and one B(1) atom. In the fourth O site, O(3) is bonded in a 4-coordinate geometry to one Zn(4), two equivalent Zn(1), and one B(1) atom. In the fifth O site, O(4) is bonded in a 4-coordinate geometry to one Zn(2), two equivalent Zn(1), and one B(1) atom.