Li2BBiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing LiO4 tetrahedra. 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 in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one B(1) atom to form corner-sharing OLi3B tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), 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(2), one B(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Bi(1) atoms.
Li2BBiO4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. The Li(1)-O(2) bond length is 2.23 Å. The Li(1)-O(4) bond length is 2.45 Å. There is one shorter (1.90 Å) and one longer (1.92 Å) Li(1)-O(1) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form a mixture of edge and corner-sharing LiO4 tetrahedra. The Li(2)-O(1) bond length is 1.94 Å. The Li(2)-O(2) bond length is 1.99 Å. The Li(2)-O(3) bond length is 1.92 Å. The Li(2)-O(4) bond length is 2.06 Å. 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 1.37 Å. The B(1)-O(2) bond length is 1.43 Å. The B(1)-O(3) bond length is 1.38 Å. Bi(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(4) atoms. The Bi(1)-O(2) bond length is 2.24 Å. The Bi(1)-O(3) bond length is 2.47 Å. There is one shorter (2.19 Å) and one longer (2.25 Å) Bi(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and one B(1) atom to form corner-sharing OLi3B tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), 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(2), one B(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), and two equivalent Bi(1) atoms.