The compound described by LaSrMnO4 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. Mn(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing MnO6 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 Mn(1) atoms to form distorted OSr2La2Mn2 octahedra that share corners with two equivalent O(1)Sr2La2Mn2 octahedra, corners with six equivalent O(3)Sr4LaMn octahedra, corners with six equivalent O(2)SrLa4Mn octahedra, edges with two equivalent O(1)Sr2La2Mn2 octahedra, faces with two equivalent O(3)Sr4LaMn octahedra, faces with two equivalent O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)Sr2La2Mn2 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 Mn(1) atom to form distorted OSrLa4Mn octahedra that share  a cornercorner with one O(3)Sr4LaMn octahedra, corners with four equivalent O(2)SrLa4Mn octahedra, corners with twelve equivalent O(1)Sr2La2Mn2 octahedra, edges with four equivalent O(3)Sr4LaMn octahedra, edges with four equivalent O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)Sr2La2Mn2 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 Mn(1) atom to form distorted OSr4LaMn octahedra that share  a cornercorner with one O(2)SrLa4Mn octahedra, corners with four equivalent O(3)Sr4LaMn octahedra, corners with twelve equivalent O(1)Sr2La2Mn2 octahedra, edges with four equivalent O(3)Sr4LaMn octahedra, edges with four equivalent O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)Sr2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. is represented by the CIF card [CIF]
data_SrLaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.890
_cell_length_b   3.890
_cell_length_c   6.997
_cell_angle_alpha   73.861
_cell_angle_beta   73.861
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.337
_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  0.357  0.357  0.286  1.0
  La  La1  1  0.643  0.643  0.713  1.0
  Mn  Mn2  1  0.997  0.997  0.006  1.0
  O  O3  1  0.506  0.006  0.989  1.0
  O  O4  1  0.006  0.506  0.989  1.0
  O  O5  1  0.168  0.168  0.664  1.0
  O  O6  1  0.824  0.824  0.353  1.0
[/CIF]
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The compound described by LaSrMnO4 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. Mn(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form corner-sharing MnO6 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 Mn(1) atoms to form distorted OSr2La2Mn2 octahedra that share corners with two equivalent O(1)Sr2La2Mn2 octahedra, corners with six equivalent O(3)Sr4LaMn octahedra, corners with six equivalent O(2)SrLa4Mn octahedra, edges with two equivalent O(1)Sr2La2Mn2 octahedra, faces with two equivalent O(3)Sr4LaMn octahedra, faces with two equivalent O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)Sr2La2Mn2 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 Mn(1) atom to form distorted OSrLa4Mn octahedra that share  a cornercorner with one O(3)Sr4LaMn octahedra, corners with four equivalent O(2)SrLa4Mn octahedra, corners with twelve equivalent O(1)Sr2La2Mn2 octahedra, edges with four equivalent O(3)Sr4LaMn octahedra, edges with four equivalent O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)Sr2La2Mn2 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 Mn(1) atom to form distorted OSr4LaMn octahedra that share  a cornercorner with one O(2)SrLa4Mn octahedra, corners with four equivalent O(3)Sr4LaMn octahedra, corners with twelve equivalent O(1)Sr2La2Mn2 octahedra, edges with four equivalent O(3)Sr4LaMn octahedra, edges with four equivalent O(2)SrLa4Mn octahedra, and faces with four equivalent O(1)Sr2La2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. is represented by the CIF card [CIF]
data_SrLaMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.890
_cell_length_b   3.890
_cell_length_c   6.997
_cell_angle_alpha   73.861
_cell_angle_beta   73.861
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   97.337
_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  0.357  0.357  0.286  1.0
  La  La1  1  0.643  0.643  0.713  1.0
  Mn  Mn2  1  0.997  0.997  0.006  1.0
  O  O3  1  0.506  0.006  0.989  1.0
  O  O4  1  0.006  0.506  0.989  1.0
  O  O5  1  0.168  0.168  0.664  1.0
  O  O6  1  0.824  0.824  0.353  1.0
[/CIF]
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