LaSrCuAlO5 crystallizes in the orthorhombic Pbcm space group. Sr(1) is bonded in a 10-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(5) atoms. La(1) is bonded in a 8-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. Cu(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Al(1)O4 tetrahedra. Al(1) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form AlO4 tetrahedra that share  a cornercorner with one Cu(1)O5 square pyramid and corners with two equivalent Al(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to three equivalent Sr(1), one La(1), and one Al(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), three equivalent La(1), one Cu(1), and one Al(1) atom. In the third O site, O(2) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. In the fifth O site, O(4) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 4°.
LaSrCuAlO5 crystallizes in the orthorhombic Pbcm space group. Sr(1) is bonded in a 10-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and three equivalent O(5) atoms. The Sr(1)-O(1) bond length is 2.69 Å. Both Sr(1)-O(2) bond lengths are 2.82 Å. Both Sr(1)-O(3) bond lengths are 2.61 Å. Both Sr(1)-O(4) bond lengths are 2.73 Å. There are two shorter (3.01 Å) and one longer (3.28 Å) Sr(1)-O(5) bond length. La(1) is bonded in a 8-coordinate geometry to one O(5), two equivalent O(2), two equivalent O(4), and three equivalent O(1) atoms. The La(1)-O(5) bond length is 2.30 Å. Both La(1)-O(2) bond lengths are 2.61 Å. Both La(1)-O(4) bond lengths are 2.52 Å. There is one shorter (2.61 Å) and two longer (2.84 Å) La(1)-O(1) bond lengths. Cu(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(4) atoms to form CuO5 square pyramids that share corners with four equivalent Cu(1)O5 square pyramids and  a cornercorner with one Al(1)O4 tetrahedra. The Cu(1)-O(1) bond length is 2.48 Å. Both Cu(1)-O(2) bond lengths are 1.93 Å. Both Cu(1)-O(4) bond lengths are 1.97 Å. Al(1) is bonded to one O(1), one O(5), and two equivalent O(3) atoms to form AlO4 tetrahedra that share  a cornercorner with one Cu(1)O5 square pyramid and corners with two equivalent Al(1)O4 tetrahedra. The Al(1)-O(1) bond length is 1.78 Å. The Al(1)-O(5) bond length is 1.75 Å. Both Al(1)-O(3) bond lengths are 1.77 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded in a distorted linear geometry to three equivalent Sr(1), one La(1), and one Al(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Sr(1), three equivalent La(1), one Cu(1), and one Al(1) atom. In the third O site, O(2) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Sr(1) and two equivalent Al(1) atoms. In the fifth O site, O(4) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner, edge, and face-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles are 4°.