LiB2BiO5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-70°. 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. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(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(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one B(1), one B(2), and one Bi(2) atom.
LiB2BiO5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-70°. The Li(1)-O(1) bond length is 1.90 Å. The Li(1)-O(2) bond length is 1.93 Å. The Li(1)-O(3) bond length is 2.15 Å. The Li(1)-O(4) bond length is 2.12 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 1.36 Å. The B(1)-O(2) bond length is 1.36 Å. The B(1)-O(5) bond length is 1.44 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 1.33 Å. The B(2)-O(4) bond length is 1.40 Å. The B(2)-O(5) bond length is 1.44 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra. Both Bi(1)-O(1) bond lengths are 2.38 Å. Both Bi(1)-O(2) bond lengths are 2.39 Å. Both Bi(1)-O(3) bond lengths are 2.37 Å. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Bi(2)-O(4) bond lengths are 2.22 Å. Both Bi(2)-O(5) bond lengths are 2.34 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one B(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(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(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one B(1), one B(2), and one Bi(2) atom.