The material described by LaSrCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. In the second Sr site, Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. In the second La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. In the third La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1); three La(1,1); and one Co(1) atom to form distorted OSr2La3Co octahedra that share  a cornercorner with one O(2)Sr3La2Co octahedra, corners with four equivalent O(1)Sr2La3Co octahedra, corners with twelve equivalent O(3)Sr2La2Co2 octahedra, edges with two equivalent O(1)Sr2La3Co octahedra, edges with six equivalent O(2)Sr3La2Co octahedra, and faces with four equivalent O(3)Sr2La2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to three equivalent Sr(1), two equivalent La(1), and one Co(1) atom to form distorted OSr3La2Co octahedra that share  a cornercorner with one O(1)Sr2La3Co octahedra, corners with four equivalent O(2)Sr3La2Co octahedra, corners with twelve equivalent O(3)Sr2La2Co2 octahedra, edges with two equivalent O(2)Sr3La2Co octahedra, edges with six equivalent O(1)Sr2La3Co octahedra, and faces with four equivalent O(3)Sr2La2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third O site, O(3) is bonded to two Sr(1,1); two La(1,1); and two equivalent Co(1) atoms to form distorted OSr2La2Co2 octahedra that share corners with two equivalent O(3)Sr2La2Co2 octahedra, corners with six equivalent O(1)Sr2La3Co octahedra, corners with six equivalent O(2)Sr3La2Co octahedra, edges with two equivalent O(3)Sr2La2Co2 octahedra, faces with two equivalent O(1)Sr2La3Co octahedra, faces with two equivalent O(2)Sr3La2Co octahedra, and faces with four equivalent O(3)Sr2La2Co2 octahedra. The corner-sharing octahedral tilt angles range from 3-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.431
_cell_length_b   5.443
_cell_length_c   12.872
_cell_angle_alpha   89.988
_cell_angle_beta   90.012
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   380.536
_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  0.000  0.500  0.145  1.0
  Sr  Sr1  1  0.500  0.500  0.645  1.0
  Sr  Sr2  1  1.000  1.000  0.356  1.0
  Sr  Sr3  1  0.500  0.000  0.855  1.0
  La  La4  1  0.500  1.000  0.141  1.0
  La  La5  1  1.000  0.000  0.641  1.0
  La  La6  1  0.500  0.500  0.359  1.0
  La  La7  1  1.000  0.500  0.859  1.0
  Co  Co8  1  0.500  0.500  0.994  1.0
  Co  Co9  1  0.500  1.000  0.506  1.0
  Co  Co10  1  0.000  0.500  0.494  1.0
  Co  Co11  1  1.000  1.000  0.006  1.0
  O  O12  1  0.500  1.000  0.321  1.0
  O  O13  1  1.000  0.000  0.821  1.0
  O  O14  1  0.500  0.500  0.179  1.0
  O  O15  1  0.000  0.500  0.679  1.0
  O  O16  1  1.000  0.500  0.336  1.0
  O  O17  1  0.500  0.500  0.836  1.0
  O  O18  1  0.000  1.000  0.164  1.0
  O  O19  1  0.500  0.000  0.664  1.0
  O  O20  1  0.242  0.241  0.998  1.0
  O  O21  1  0.759  0.258  0.502  1.0
  O  O22  1  0.758  0.758  0.998  1.0
  O  O23  1  0.241  0.742  0.502  1.0
  O  O24  1  0.258  0.741  0.002  1.0
  O  O25  1  0.741  0.758  0.498  1.0
  O  O26  1  0.742  0.258  0.002  1.0
  O  O27  1  0.259  0.242  0.498  1.0
[/CIF]
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The material described by LaSrCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. In the second Sr site, Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. In the second La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. In the third La site, La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Co(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1); three La(1,1); and one Co(1) atom to form distorted OSr2La3Co octahedra that share  a cornercorner with one O(2)Sr3La2Co octahedra, corners with four equivalent O(1)Sr2La3Co octahedra, corners with twelve equivalent O(3)Sr2La2Co2 octahedra, edges with two equivalent O(1)Sr2La3Co octahedra, edges with six equivalent O(2)Sr3La2Co octahedra, and faces with four equivalent O(3)Sr2La2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the second O site, O(2) is bonded to three equivalent Sr(1), two equivalent La(1), and one Co(1) atom to form distorted OSr3La2Co octahedra that share  a cornercorner with one O(1)Sr2La3Co octahedra, corners with four equivalent O(2)Sr3La2Co octahedra, corners with twelve equivalent O(3)Sr2La2Co2 octahedra, edges with two equivalent O(2)Sr3La2Co octahedra, edges with six equivalent O(1)Sr2La3Co octahedra, and faces with four equivalent O(3)Sr2La2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-56°. In the third O site, O(3) is bonded to two Sr(1,1); two La(1,1); and two equivalent Co(1) atoms to form distorted OSr2La2Co2 octahedra that share corners with two equivalent O(3)Sr2La2Co2 octahedra, corners with six equivalent O(1)Sr2La3Co octahedra, corners with six equivalent O(2)Sr3La2Co octahedra, edges with two equivalent O(3)Sr2La2Co2 octahedra, faces with two equivalent O(1)Sr2La3Co octahedra, faces with two equivalent O(2)Sr3La2Co octahedra, and faces with four equivalent O(3)Sr2La2Co2 octahedra. The corner-sharing octahedral tilt angles range from 3-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLaCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.431
_cell_length_b   5.443
_cell_length_c   12.872
_cell_angle_alpha   89.988
_cell_angle_beta   90.012
_cell_angle_gamma   90.002
_symmetry_Int_Tables_number   1
_cell_volume   380.536
_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  0.000  0.500  0.145  1.0
  Sr  Sr1  1  0.500  0.500  0.645  1.0
  Sr  Sr2  1  1.000  1.000  0.356  1.0
  Sr  Sr3  1  0.500  0.000  0.855  1.0
  La  La4  1  0.500  1.000  0.141  1.0
  La  La5  1  1.000  0.000  0.641  1.0
  La  La6  1  0.500  0.500  0.359  1.0
  La  La7  1  1.000  0.500  0.859  1.0
  Co  Co8  1  0.500  0.500  0.994  1.0
  Co  Co9  1  0.500  1.000  0.506  1.0
  Co  Co10  1  0.000  0.500  0.494  1.0
  Co  Co11  1  1.000  1.000  0.006  1.0
  O  O12  1  0.500  1.000  0.321  1.0
  O  O13  1  1.000  0.000  0.821  1.0
  O  O14  1  0.500  0.500  0.179  1.0
  O  O15  1  0.000  0.500  0.679  1.0
  O  O16  1  1.000  0.500  0.336  1.0
  O  O17  1  0.500  0.500  0.836  1.0
  O  O18  1  0.000  1.000  0.164  1.0
  O  O19  1  0.500  0.000  0.664  1.0
  O  O20  1  0.242  0.241  0.998  1.0
  O  O21  1  0.759  0.258  0.502  1.0
  O  O22  1  0.758  0.758  0.998  1.0
  O  O23  1  0.241  0.742  0.502  1.0
  O  O24  1  0.258  0.741  0.002  1.0
  O  O25  1  0.741  0.758  0.498  1.0
  O  O26  1  0.742  0.258  0.002  1.0
  O  O27  1  0.259  0.242  0.498  1.0
[/CIF]
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