YBO3 is Calcite-like structured and crystallizes in the monoclinic P2_1/m space group. Y(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 51°. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Y(1) and one B(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one B(1) atom.
YBO3 is Calcite-like structured and crystallizes in the monoclinic P2_1/m space group. Y(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of corner and edge-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 51°. Both Y(1)-O(2) bond lengths are 2.30 Å. There are two shorter (2.29 Å) and two longer (2.31 Å) Y(1)-O(1) bond lengths. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. The B(1)-O(2) bond length is 1.37 Å. Both B(1)-O(1) bond lengths are 1.39 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Y(1) and one B(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one B(1) atom.