LiLaMn4O12 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. La(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 13-32°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Mn(1) atoms.
LiLaMn4O12 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Li(1)-O(2) bond lengths are 2.20 Å. Both Li(1)-O(4) bond lengths are 2.10 Å. La(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Both La(1)-O(3) bond lengths are 2.50 Å. All La(1)-O(1) bond lengths are 2.47 Å. There are two shorter (2.56 Å) and two longer (2.75 Å) La(1)-O(5) bond lengths. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 13-32°. The Mn(1)-O(2) bond length is 1.91 Å. The Mn(1)-O(3) bond length is 1.93 Å. The Mn(1)-O(4) bond length is 1.86 Å. The Mn(1)-O(5) bond length is 2.01 Å. There is one shorter (1.88 Å) and one longer (1.91 Å) Mn(1)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one La(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent Mn(1) atoms.