LiB3Bi4O11 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent O(1) and two equivalent O(3) 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(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(5) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one B(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one B(1) and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one B(2), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one B(2), two equivalent Bi(1), and two equivalent Bi(2) atoms.
LiB3Bi4O11 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted trigonal pyramidal geometry to two equivalent O(1) and two equivalent O(3) atoms. Both Li(1)-O(1) bond lengths are 2.12 Å. Both Li(1)-O(3) bond lengths are 2.06 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(4) atom. The B(1)-O(1) bond length is 1.39 Å. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(4) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(6) and two equivalent O(5) atoms. The B(2)-O(6) bond length is 1.41 Å. Both B(2)-O(5) bond lengths are 1.38 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. The Bi(1)-O(1) bond length is 2.60 Å. The Bi(1)-O(3) bond length is 2.13 Å. The Bi(1)-O(4) bond length is 2.26 Å. The Bi(1)-O(5) bond length is 2.25 Å. The Bi(1)-O(6) bond length is 2.69 Å. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(6), and two equivalent O(2) atoms. The Bi(2)-O(1) bond length is 2.43 Å. The Bi(2)-O(3) bond length is 2.14 Å. The Bi(2)-O(5) bond length is 2.60 Å. The Bi(2)-O(6) bond length is 2.54 Å. There is one shorter (2.35 Å) and one longer (2.39 Å) Bi(2)-O(2) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one B(1), one Bi(1), and one Bi(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one B(1) and one Bi(1) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one B(2), one Bi(1), and one Bi(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one B(2), two equivalent Bi(1), and two equivalent Bi(2) atoms.