LiBBi2O5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. Bi(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing BiO6 pentagonal pyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1) and four equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one B(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1) and two equivalent Bi(1) atoms to form corner-sharing OLi2Bi2 tetrahedra.
LiBBi2O5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. The Li(1)-O(1) bond length is 1.95 Å. Both Li(1)-O(2) bond lengths are 2.53 Å. Both Li(1)-O(4) bond lengths are 1.98 Å. B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. The B(1)-O(3) bond length is 1.36 Å. Both B(1)-O(2) bond lengths are 1.42 Å. Bi(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing BiO6 pentagonal pyramids. The Bi(1)-O(3) bond length is 2.58 Å. The Bi(1)-O(4) bond length is 2.22 Å. There is one shorter (2.44 Å) and one longer (2.62 Å) Bi(1)-O(1) bond length. There is one shorter (2.34 Å) and one longer (2.38 Å) Bi(1)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1) and four equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Li(1), one B(1), and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one B(1) and two equivalent Bi(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1) and two equivalent Bi(1) atoms to form corner-sharing OLi2Bi2 tetrahedra.