Ba2LaMn2O7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(4) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded to four equivalent O(1) and eight 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, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Mn(2)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), and four 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 0-8°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent La(1), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(2), three 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 twelve equivalent O(4)Ba2La2Mn2 octahedra, edges with two equivalent O(2)Ba5Mn octahedra, edges with six equivalent O(3)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-57°. In the third O site, O(3) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Mn(2) atom to form distorted OBa5Mn octahedra that share corners with four equivalent O(3)Ba5Mn octahedra, corners with twelve equivalent O(4)Ba2La2Mn2 octahedra, edges with two equivalent O(3)Ba5Mn octahedra, edges with six equivalent O(2)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-59°. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), two equivalent La(1), one Mn(1), and one Mn(2) atom to form distorted OBa2La2Mn2 octahedra that share corners with three equivalent O(2)Ba5Mn octahedra, corners with three equivalent O(3)Ba5Mn octahedra, corners with eight equivalent O(4)Ba2La2Mn2 octahedra, edges with three equivalent O(4)Ba2La2Mn2 octahedra,  a faceface with one O(2)Ba5Mn octahedra,  a faceface with one O(3)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-64°.
Ba2LaMn2O7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to two equivalent O(3), three equivalent O(2), and four equivalent O(4) atoms. Both Ba(1)-O(3) bond lengths are 2.84 Å. There is one shorter (2.78 Å) and two longer (2.84 Å) Ba(1)-O(2) bond lengths. All Ba(1)-O(4) bond lengths are 2.82 Å. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(4) atoms. Both Ba(2)-O(2) bond lengths are 2.84 Å. There is one shorter (2.76 Å) and two longer (2.84 Å) Ba(2)-O(3) bond lengths. All Ba(2)-O(4) bond lengths are 2.82 Å. La(1) is bonded to four equivalent O(1) and eight 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, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. All La(1)-O(1) bond lengths are 2.84 Å. All La(1)-O(4) bond lengths are 2.69 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form MnO6 octahedra that share corners with five equivalent Mn(2)O6 octahedra and faces with four equivalent La(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. The Mn(1)-O(1) bond length is 1.96 Å. The Mn(1)-O(2) bond length is 1.94 Å. All Mn(1)-O(4) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), and four 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 0-8°. The Mn(2)-O(1) bond length is 1.92 Å. The Mn(2)-O(3) bond length is 1.92 Å. All Mn(2)-O(4) bond lengths are 2.09 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), one Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded to two equivalent Ba(2), three 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 twelve equivalent O(4)Ba2La2Mn2 octahedra, edges with two equivalent O(2)Ba5Mn octahedra, edges with six equivalent O(3)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-57°. In the third O site, O(3) is bonded to two equivalent Ba(1), three equivalent Ba(2), and one Mn(2) atom to form distorted OBa5Mn octahedra that share corners with four equivalent O(3)Ba5Mn octahedra, corners with twelve equivalent O(4)Ba2La2Mn2 octahedra, edges with two equivalent O(3)Ba5Mn octahedra, edges with six equivalent O(2)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 4-59°. In the fourth O site, O(4) is bonded to one Ba(1), one Ba(2), two equivalent La(1), one Mn(1), and one Mn(2) atom to form distorted OBa2La2Mn2 octahedra that share corners with three equivalent O(2)Ba5Mn octahedra, corners with three equivalent O(3)Ba5Mn octahedra, corners with eight equivalent O(4)Ba2La2Mn2 octahedra, edges with three equivalent O(4)Ba2La2Mn2 octahedra,  a faceface with one O(2)Ba5Mn octahedra,  a faceface with one O(3)Ba5Mn octahedra, and faces with four equivalent O(4)Ba2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 3-64°.