BiBO3 is Calcite-like structured and crystallizes in the monoclinic P2_1/c space group. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one B(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms.
BiBO3 is Calcite-like structured and crystallizes in the monoclinic P2_1/c space group. 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 1.38 Å. The B(1)-O(2) bond length is 1.38 Å. The B(1)-O(3) bond length is 1.38 Å. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of distorted corner and edge-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. There is one shorter (2.26 Å) and one longer (2.48 Å) Bi(1)-O(1) bond length. There is one shorter (2.19 Å) and one longer (2.54 Å) Bi(1)-O(2) bond length. There is one shorter (2.23 Å) and one longer (2.57 Å) Bi(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one B(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms.