Zn2BO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zn(1), two equivalent Zn(2), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zn(2), two equivalent Zn(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one B(1) atom. In the fourth O site, O(4) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra.
Zn2BO4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form a mixture of edge and corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Zn(1)-O(1) bond length is 2.05 Å. Both Zn(1)-O(2) bond lengths are 2.21 Å. There is one shorter (2.02 Å) and two longer (2.08 Å) Zn(1)-O(4) bond lengths. In the second Zn site, Zn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing ZnO6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Zn(2)-O(2) bond length is 2.07 Å. The Zn(2)-O(4) bond length is 2.01 Å. Both Zn(2)-O(1) bond lengths are 2.23 Å. Both Zn(2)-O(3) bond lengths are 2.07 Å. 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 1.37 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Zn(1), two equivalent Zn(2), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Zn(2), two equivalent Zn(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Zn(2) and one B(1) atom. In the fourth O site, O(4) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OZn4 tetrahedra.