Ba2LaMn2O7 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), two equivalent O(4), and five equivalent O(2) atoms. La(1) is bonded to four equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Mn(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to five equivalent Ba(1) and one Mn(1) atom to form distorted OBa5Mn octahedra that share corners with four equivalent O(2)Ba5Mn octahedra, corners with six equivalent O(3)Ba2La2Mn2 octahedra, edges with eight equivalent O(2)Ba5Mn octahedra, and faces with two equivalent O(3)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-59°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent La(1), and two equivalent Mn(1) atoms to form distorted OBa2La2Mn2 octahedra that share corners with four equivalent O(3)Ba2La2Mn2 octahedra, corners with six equivalent O(2)Ba5Mn octahedra, edges with three equivalent O(3)Ba2La2Mn2 octahedra, and faces with two equivalent O(2)Ba5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Mn(1) atoms.
Ba2LaMn2O7 crystallizes in the orthorhombic Immm space group. Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), two equivalent O(4), and five equivalent O(2) atoms. Both Ba(1)-O(3) bond lengths are 2.80 Å. Both Ba(1)-O(4) bond lengths are 2.85 Å. There is one shorter (2.77 Å) and four longer (2.83 Å) Ba(1)-O(2) bond lengths. La(1) is bonded to four equivalent O(1), four equivalent O(3), and four equivalent O(4) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. All La(1)-O(1) bond lengths are 2.83 Å. All La(1)-O(3) bond lengths are 2.68 Å. All La(1)-O(4) bond lengths are 2.72 Å. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Mn(1)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-9°. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(2) bond length is 1.95 Å. Both Mn(1)-O(3) bond lengths are 2.04 Å. Both Mn(1)-O(4) bond lengths are 1.97 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to five equivalent Ba(1) and one Mn(1) atom to form distorted OBa5Mn octahedra that share corners with four equivalent O(2)Ba5Mn octahedra, corners with six equivalent O(3)Ba2La2Mn2 octahedra, edges with eight equivalent O(2)Ba5Mn octahedra, and faces with two equivalent O(3)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-59°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent La(1), and two equivalent Mn(1) atoms to form distorted OBa2La2Mn2 octahedra that share corners with four equivalent O(3)Ba2La2Mn2 octahedra, corners with six equivalent O(2)Ba5Mn octahedra, edges with three equivalent O(3)Ba2La2Mn2 octahedra, and faces with two equivalent O(2)Ba5Mn octahedra. The corner-sharing octahedral tilt angles range from 0-59°. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent La(1), and two equivalent Mn(1) atoms.