The material described by LaSrFeO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Fe(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), three equivalent La(1), and one Fe(1) atom to form distorted OSr2La3Fe octahedra that share  a cornercorner with one O(2)Sr3La2Fe octahedra, corners with four equivalent O(1)Sr2La3Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with two equivalent O(1)Sr2La3Fe octahedra, edges with six equivalent O(2)Sr3La2Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to three equivalent Sr(1), two equivalent La(1), and one Fe(1) atom to form distorted OSr3La2Fe octahedra that share  a cornercorner with one O(1)Sr2La3Fe octahedra, corners with four equivalent O(2)Sr3La2Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with two equivalent O(2)Sr3La2Fe octahedra, edges with six equivalent O(1)Sr2La3Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Fe(1) atoms to form distorted OSr2La2Fe2 octahedra that share corners with two equivalent O(3)Sr2La2Fe2 octahedra, corners with six equivalent O(1)Sr2La3Fe octahedra, corners with six equivalent O(2)Sr3La2Fe octahedra, edges with two equivalent O(3)Sr2La2Fe2 octahedra, faces with two equivalent O(1)Sr2La3Fe octahedra, faces with two equivalent O(2)Sr3La2Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 4-55°. is represented by the CIF card [CIF]
data_SrLaFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.916
_cell_length_b   6.916
_cell_length_c   5.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.566
_symmetry_Int_Tables_number   1
_cell_volume   196.247
_cell_formula_units_Z   2
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  0.606  0.394  0.250  1.0
  Sr  Sr1  1  0.394  0.606  0.750  1.0
  La  La2  1  0.110  0.890  0.750  1.0
  La  La3  1  0.890  0.110  0.250  1.0
  Fe  Fe4  1  0.255  0.745  0.250  1.0
  Fe  Fe5  1  0.745  0.255  0.750  1.0
  O  O6  1  0.928  0.072  0.750  1.0
  O  O7  1  0.415  0.585  0.250  1.0
  O  O8  1  0.072  0.928  0.250  1.0
  O  O9  1  0.585  0.415  0.750  1.0
  O  O10  1  0.000  0.500  0.500  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.000  0.500  1.0
[/CIF]
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The material described by LaSrFeO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 9-coordinate geometry to two equivalent O(1), three equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(1), and four equivalent O(3) atoms. Fe(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), three equivalent La(1), and one Fe(1) atom to form distorted OSr2La3Fe octahedra that share  a cornercorner with one O(2)Sr3La2Fe octahedra, corners with four equivalent O(1)Sr2La3Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with two equivalent O(1)Sr2La3Fe octahedra, edges with six equivalent O(2)Sr3La2Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-52°. In the second O site, O(2) is bonded to three equivalent Sr(1), two equivalent La(1), and one Fe(1) atom to form distorted OSr3La2Fe octahedra that share  a cornercorner with one O(1)Sr2La3Fe octahedra, corners with four equivalent O(2)Sr3La2Fe octahedra, corners with twelve equivalent O(3)Sr2La2Fe2 octahedra, edges with two equivalent O(2)Sr3La2Fe octahedra, edges with six equivalent O(1)Sr2La3Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Fe(1) atoms to form distorted OSr2La2Fe2 octahedra that share corners with two equivalent O(3)Sr2La2Fe2 octahedra, corners with six equivalent O(1)Sr2La3Fe octahedra, corners with six equivalent O(2)Sr3La2Fe octahedra, edges with two equivalent O(3)Sr2La2Fe2 octahedra, faces with two equivalent O(1)Sr2La3Fe octahedra, faces with two equivalent O(2)Sr3La2Fe octahedra, and faces with four equivalent O(3)Sr2La2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 4-55°. is represented by the CIF card [CIF]
data_SrLaFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.916
_cell_length_b   6.916
_cell_length_c   5.571
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   132.566
_symmetry_Int_Tables_number   1
_cell_volume   196.247
_cell_formula_units_Z   2
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  0.606  0.394  0.250  1.0
  Sr  Sr1  1  0.394  0.606  0.750  1.0
  La  La2  1  0.110  0.890  0.750  1.0
  La  La3  1  0.890  0.110  0.250  1.0
  Fe  Fe4  1  0.255  0.745  0.250  1.0
  Fe  Fe5  1  0.745  0.255  0.750  1.0
  O  O6  1  0.928  0.072  0.750  1.0
  O  O7  1  0.415  0.585  0.250  1.0
  O  O8  1  0.072  0.928  0.250  1.0
  O  O9  1  0.585  0.415  0.750  1.0
  O  O10  1  0.000  0.500  0.500  1.0
  O  O11  1  0.500  0.000  0.000  1.0
  O  O12  1  0.000  0.500  0.000  1.0
  O  O13  1  0.500  0.000  0.500  1.0
[/CIF]
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