Li(BiO2)3 crystallizes in the cubic I2_13 space group. Li(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing BiO6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(2) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Li(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted corner-sharing OLiBi3 tetrahedra.
Li(BiO2)3 crystallizes in the cubic I2_13 space group. Li(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(2) atoms. All Li(1)-O(2) bond lengths are 2.09 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 42°. Both Bi(1)-O(2) bond lengths are 2.28 Å. There are two shorter (2.20 Å) and two longer (2.22 Å) Bi(1)-O(1) bond lengths. In the second Bi site, Bi(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing BiO6 pentagonal pyramids. Both Bi(2)-O(1) bond lengths are 2.44 Å. There are two shorter (2.37 Å) and two longer (2.40 Å) Bi(2)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(2) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded to one Li(1), one Bi(1), and two equivalent Bi(2) atoms to form distorted corner-sharing OLiBi3 tetrahedra.