LiB2BiO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form distorted corner-sharing LiO4 trigonal pyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. Bi(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(2) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one B(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom.
LiB2BiO5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form distorted corner-sharing LiO4 trigonal pyramids. The Li(1)-O(4) bond length is 1.89 Å. The Li(1)-O(5) bond length is 2.16 Å. There is one shorter (1.98 Å) and one longer (2.29 Å) Li(1)-O(1) bond length. There are two inequivalent B sites. In the first B site, 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 1.33 Å. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(3) bond length is 1.43 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. The B(2)-O(3) bond length is 1.40 Å. The B(2)-O(4) bond length is 1.37 Å. The B(2)-O(5) bond length is 1.38 Å. Bi(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), and two equivalent O(2) atoms. The Bi(1)-O(3) bond length is 2.77 Å. The Bi(1)-O(4) bond length is 2.19 Å. The Bi(1)-O(5) bond length is 2.35 Å. There is one shorter (2.19 Å) and one longer (2.45 Å) Bi(1)-O(2) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li(1) and one B(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one B(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one B(1), one B(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom.