LaMn7O12 crystallizes in the monoclinic C2/m space group. La(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share faces with four equivalent Mn(4)O6 octahedra and faces with four equivalent Mn(5)O6 octahedra. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to four equivalent O(4) atoms. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(5)O6 octahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 42-43°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-42°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Mn(3), and two equivalent Mn(5) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Mn(2), one Mn(4), and one Mn(5) atom.
LaMn7O12 crystallizes in the monoclinic C2/m space group. La(1) is bonded to two equivalent O(1), two equivalent O(2), four equivalent O(3), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share faces with four equivalent Mn(4)O6 octahedra and faces with four equivalent Mn(5)O6 octahedra. Both La(1)-O(1) bond lengths are 2.66 Å. Both La(1)-O(2) bond lengths are 2.74 Å. All La(1)-O(3) bond lengths are 2.69 Å. All La(1)-O(4) bond lengths are 2.70 Å. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. All Mn(1)-O(3) bond lengths are 1.97 Å. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to four equivalent O(4) atoms. All Mn(2)-O(4) bond lengths are 1.97 Å. In the third Mn site, Mn(3) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Mn(3)-O(1) bond lengths are 1.98 Å. Both Mn(3)-O(2) bond lengths are 1.97 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(5)O6 octahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 42-43°. Both Mn(4)-O(1) bond lengths are 2.03 Å. Both Mn(4)-O(3) bond lengths are 1.97 Å. Both Mn(4)-O(4) bond lengths are 2.08 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(4)O6 octahedra, and faces with two equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-42°. Both Mn(5)-O(2) bond lengths are 2.02 Å. Both Mn(5)-O(3) bond lengths are 2.10 Å. Both Mn(5)-O(4) bond lengths are 1.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one La(1), one Mn(3), and two equivalent Mn(5) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one La(1), one Mn(2), one Mn(4), and one Mn(5) atom.