B2O3ZrO2 crystallizes in the monoclinic P2_1/c space group. Zr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. In the second B site, B(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zr(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Zr(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zr(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zr(1) and one B(2) atom.
B2O3ZrO2 crystallizes in the monoclinic P2_1/c space group. Zr(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. The Zr(1)-O(3) bond length is 2.19 Å. The Zr(1)-O(4) bond length is 2.20 Å. There is one shorter (2.15 Å) and one longer (2.27 Å) Zr(1)-O(1) bond length. There is one shorter (2.31 Å) and one longer (2.42 Å) Zr(1)-O(2) bond length. There is one shorter (2.09 Å) and one longer (2.18 Å) Zr(1)-O(5) bond length. There are two inequivalent B sites. In the first B site, B(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form corner-sharing BO4 tetrahedra. The B(1)-O(1) bond length is 1.42 Å. The B(1)-O(2) bond length is 1.54 Å. The B(1)-O(3) bond length is 1.46 Å. The B(1)-O(4) bond length is 1.46 Å. In the second B site, B(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. The B(2)-O(2) bond length is 1.50 Å. The B(2)-O(3) bond length is 1.47 Å. The B(2)-O(4) bond length is 1.46 Å. The B(2)-O(5) bond length is 1.45 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Zr(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Zr(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Zr(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zr(1), one B(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Zr(1) and one B(2) atom.