LiB2BiO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. 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(5) 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 to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted edge-sharing BiO5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one B(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one B(1) and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), 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(2), one B(1), and one B(2) atom.
LiB2BiO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Li(1)-O(1) bond lengths are 1.92 Å. Both Li(1)-O(3) bond lengths are 2.43 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Li(2)-O(4) bond lengths are 1.87 Å. Both Li(2)-O(5) bond lengths are 2.42 Å. 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(5) atom. The B(1)-O(1) bond length is 1.38 Å. The B(1)-O(2) bond length is 1.36 Å. The B(1)-O(5) bond length is 1.41 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 1.37 Å. The B(2)-O(4) bond length is 1.38 Å. The B(2)-O(5) bond length is 1.42 Å. Bi(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted edge-sharing BiO5 trigonal bipyramids. The Bi(1)-O(2) bond length is 2.17 Å. The Bi(1)-O(3) bond length is 2.27 Å. The Bi(1)-O(4) bond length is 2.23 Å. There is one shorter (2.43 Å) and one longer (2.68 Å) Bi(1)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one B(1), and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 1-coordinate geometry to one B(1) and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one B(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(2), 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(2), one B(1), and one B(2) atom.