The compound described by 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°. is represented by the CIF file [CIF]
data_SrLaAlCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   8.072
_cell_length_c   11.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.564
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.250  0.258  0.400  1.0
  Sr  Sr1  1  0.750  0.742  0.600  1.0
  Sr  Sr2  1  0.250  0.742  0.900  1.0
  Sr  Sr3  1  0.750  0.258  0.100  1.0
  La  La4  1  0.250  0.810  0.368  1.0
  La  La5  1  0.750  0.190  0.632  1.0
  La  La6  1  0.250  0.190  0.868  1.0
  La  La7  1  0.750  0.810  0.132  1.0
  Al  Al8  1  0.250  0.498  0.157  1.0
  Al  Al9  1  0.750  0.502  0.843  1.0
  Al  Al10  1  0.250  0.502  0.657  1.0
  Al  Al11  1  0.750  0.498  0.343  1.0
  Cu  Cu12  1  0.250  0.024  0.127  1.0
  Cu  Cu13  1  0.750  0.976  0.873  1.0
  Cu  Cu14  1  0.250  0.976  0.627  1.0
  Cu  Cu15  1  0.750  0.024  0.373  1.0
  O  O16  1  0.250  0.283  0.642  1.0
  O  O17  1  0.750  0.717  0.358  1.0
  O  O18  1  0.250  0.717  0.142  1.0
  O  O19  1  0.750  0.283  0.858  1.0
  O  O20  1  0.000  0.032  0.250  1.0
  O  O21  1  0.000  0.968  0.750  1.0
  O  O22  1  0.500  0.968  0.750  1.0
  O  O23  1  0.500  0.032  0.250  1.0
  O  O24  1  0.000  0.440  0.250  1.0
  O  O25  1  0.000  0.560  0.750  1.0
  O  O26  1  0.500  0.560  0.750  1.0
  O  O27  1  0.500  0.440  0.250  1.0
  O  O28  1  0.000  0.000  0.000  1.0
  O  O29  1  0.500  0.000  0.000  1.0
  O  O30  1  0.500  0.000  0.500  1.0
  O  O31  1  0.000  0.000  0.500  1.0
  O  O32  1  0.250  0.375  0.027  1.0
  O  O33  1  0.750  0.625  0.973  1.0
  O  O34  1  0.250  0.625  0.527  1.0
  O  O35  1  0.750  0.375  0.473  1.0
[/CIF]
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The compound described by 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°. is represented by the CIF file [CIF]
data_SrLaAlCuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.479
_cell_length_b   8.072
_cell_length_c   11.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   489.564
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.250  0.258  0.400  1.0
  Sr  Sr1  1  0.750  0.742  0.600  1.0
  Sr  Sr2  1  0.250  0.742  0.900  1.0
  Sr  Sr3  1  0.750  0.258  0.100  1.0
  La  La4  1  0.250  0.810  0.368  1.0
  La  La5  1  0.750  0.190  0.632  1.0
  La  La6  1  0.250  0.190  0.868  1.0
  La  La7  1  0.750  0.810  0.132  1.0
  Al  Al8  1  0.250  0.498  0.157  1.0
  Al  Al9  1  0.750  0.502  0.843  1.0
  Al  Al10  1  0.250  0.502  0.657  1.0
  Al  Al11  1  0.750  0.498  0.343  1.0
  Cu  Cu12  1  0.250  0.024  0.127  1.0
  Cu  Cu13  1  0.750  0.976  0.873  1.0
  Cu  Cu14  1  0.250  0.976  0.627  1.0
  Cu  Cu15  1  0.750  0.024  0.373  1.0
  O  O16  1  0.250  0.283  0.642  1.0
  O  O17  1  0.750  0.717  0.358  1.0
  O  O18  1  0.250  0.717  0.142  1.0
  O  O19  1  0.750  0.283  0.858  1.0
  O  O20  1  0.000  0.032  0.250  1.0
  O  O21  1  0.000  0.968  0.750  1.0
  O  O22  1  0.500  0.968  0.750  1.0
  O  O23  1  0.500  0.032  0.250  1.0
  O  O24  1  0.000  0.440  0.250  1.0
  O  O25  1  0.000  0.560  0.750  1.0
  O  O26  1  0.500  0.560  0.750  1.0
  O  O27  1  0.500  0.440  0.250  1.0
  O  O28  1  0.000  0.000  0.000  1.0
  O  O29  1  0.500  0.000  0.000  1.0
  O  O30  1  0.500  0.000  0.500  1.0
  O  O31  1  0.000  0.000  0.500  1.0
  O  O32  1  0.250  0.375  0.027  1.0
  O  O33  1  0.750  0.625  0.973  1.0
  O  O34  1  0.250  0.625  0.527  1.0
  O  O35  1  0.750  0.375  0.473  1.0
[/CIF]
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