Li2Ti3(BiO3)4 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(6) atoms. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-25°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent Ti(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ti(1) and two equivalent Bi(2) atoms to form distorted edge-sharing OTi2Bi2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ti(1), and one Bi(1) atom.
Li2Ti3(BiO3)4 crystallizes in the orthorhombic Aea2 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(6) atoms. The Li(1)-O(1) bond length is 1.98 Å. The Li(1)-O(3) bond length is 1.94 Å. There is one shorter (2.00 Å) and one longer (2.26 Å) Li(1)-O(6) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-25°. The Ti(1)-O(2) bond length is 2.04 Å. The Ti(1)-O(6) bond length is 1.92 Å. There is one shorter (1.92 Å) and one longer (1.99 Å) Ti(1)-O(3) bond length. There is one shorter (2.11 Å) and one longer (2.20 Å) Ti(1)-O(5) bond length. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles are 24°. Both Ti(2)-O(2) bond lengths are 1.95 Å. There are two shorter (2.05 Å) and two longer (2.08 Å) Ti(2)-O(4) bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(1) atoms. The Bi(1)-O(6) bond length is 2.32 Å. There is one shorter (2.20 Å) and one longer (2.23 Å) Bi(1)-O(1) bond length. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. The Bi(2)-O(3) bond length is 2.76 Å. There is one shorter (2.58 Å) and one longer (2.82 Å) Bi(2)-O(2) bond length. There is one shorter (2.43 Å) and one longer (2.58 Å) Bi(2)-O(4) bond length. There is one shorter (2.29 Å) and one longer (2.42 Å) Bi(2)-O(5) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ti(1), one Ti(2), and two equivalent Bi(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent Ti(1), and one Bi(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ti(2) and two equivalent Bi(2) atoms. In the fifth O site, O(5) is bonded to two equivalent Ti(1) and two equivalent Bi(2) atoms to form distorted edge-sharing OTi2Bi2 tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Ti(1), and one Bi(1) atom.