The material structure described by LaSrCuO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. Cu(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(1)Sr2La2Cu2 octahedra, corners with six equivalent O(3)Sr4LaCu octahedra, corners with six equivalent O(2)SrLa4Cu octahedra, edges with two equivalent O(1)Sr2La2Cu2 octahedra, faces with two equivalent O(3)Sr4LaCu octahedra, faces with two equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the second O site, O(2) is bonded to one Sr(1), four equivalent La(1), and one Cu(1) atom to form distorted OSrLa4Cu octahedra that share  a cornercorner with one O(3)Sr4LaCu octahedra, corners with four equivalent O(2)SrLa4Cu octahedra, corners with twelve equivalent O(1)Sr2La2Cu2 octahedra, edges with four equivalent O(3)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Sr(1), one La(1), and one Cu(1) atom to form distorted OSr4LaCu octahedra that share  a cornercorner with one O(2)SrLa4Cu octahedra, corners with four equivalent O(3)Sr4LaCu octahedra, corners with twelve equivalent O(1)Sr2La2Cu2 octahedra, edges with four equivalent O(3)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. is represented by the CIF file [CIF]
data_SrLaCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.853
_cell_length_b   6.853
_cell_length_c   6.853
_cell_angle_alpha   147.202
_cell_angle_beta   147.202
_cell_angle_gamma   47.065
_symmetry_Int_Tables_number   1
_cell_volume   94.098
_cell_formula_units_Z   1
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  0.640  0.640  0.000  1.0
  La  La1  1  0.360  0.360  0.000  1.0
  Cu  Cu2  1  0.002  0.002  0.000  1.0
  O  O3  1  0.994  0.494  0.500  1.0
  O  O4  1  0.494  0.994  0.500  1.0
  O  O5  1  0.835  0.835  0.000  1.0
  O  O6  1  0.174  0.174  0.000  1.0
[/CIF]
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The material structure described by LaSrCuO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to one O(3), four equivalent O(1), and four equivalent O(2) atoms. Cu(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form distorted OSr2La2Cu2 octahedra that share corners with two equivalent O(1)Sr2La2Cu2 octahedra, corners with six equivalent O(3)Sr4LaCu octahedra, corners with six equivalent O(2)SrLa4Cu octahedra, edges with two equivalent O(1)Sr2La2Cu2 octahedra, faces with two equivalent O(3)Sr4LaCu octahedra, faces with two equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 6-53°. In the second O site, O(2) is bonded to one Sr(1), four equivalent La(1), and one Cu(1) atom to form distorted OSrLa4Cu octahedra that share  a cornercorner with one O(3)Sr4LaCu octahedra, corners with four equivalent O(2)SrLa4Cu octahedra, corners with twelve equivalent O(1)Sr2La2Cu2 octahedra, edges with four equivalent O(3)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the third O site, O(3) is bonded to four equivalent Sr(1), one La(1), and one Cu(1) atom to form distorted OSr4LaCu octahedra that share  a cornercorner with one O(2)SrLa4Cu octahedra, corners with four equivalent O(3)Sr4LaCu octahedra, corners with twelve equivalent O(1)Sr2La2Cu2 octahedra, edges with four equivalent O(3)Sr4LaCu octahedra, edges with four equivalent O(2)SrLa4Cu octahedra, and faces with four equivalent O(1)Sr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. is represented by the CIF file [CIF]
data_SrLaCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.853
_cell_length_b   6.853
_cell_length_c   6.853
_cell_angle_alpha   147.202
_cell_angle_beta   147.202
_cell_angle_gamma   47.065
_symmetry_Int_Tables_number   1
_cell_volume   94.098
_cell_formula_units_Z   1
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  0.640  0.640  0.000  1.0
  La  La1  1  0.360  0.360  0.000  1.0
  Cu  Cu2  1  0.002  0.002  0.000  1.0
  O  O3  1  0.994  0.494  0.500  1.0
  O  O4  1  0.494  0.994  0.500  1.0
  O  O5  1  0.835  0.835  0.000  1.0
  O  O6  1  0.174  0.174  0.000  1.0
[/CIF]
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