The structure described by LaMnO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent La(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   5.546
_cell_length_c   5.546
_cell_angle_alpha   60.064
_cell_angle_beta   59.740
_cell_angle_gamma   59.739
_symmetry_Int_Tables_number   1
_cell_volume   118.730
_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
  La  La0  1  0.750  0.753  0.747  1.0
  La  La1  1  0.250  0.247  0.253  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.239  0.681  0.264  1.0
  O  O5  1  0.261  0.236  0.819  1.0
  O  O6  1  0.761  0.319  0.736  1.0
  O  O7  1  0.739  0.764  0.181  1.0
  O  O8  1  0.250  0.807  0.693  1.0
  O  O9  1  0.750  0.193  0.307  1.0
[/CIF]
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The structure described by LaMnO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 9-coordinate geometry to three equivalent O(2) and six equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 19-22°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to three equivalent La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent La(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.477
_cell_length_b   5.546
_cell_length_c   5.546
_cell_angle_alpha   60.064
_cell_angle_beta   59.740
_cell_angle_gamma   59.739
_symmetry_Int_Tables_number   1
_cell_volume   118.730
_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
  La  La0  1  0.750  0.753  0.747  1.0
  La  La1  1  0.250  0.247  0.253  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.239  0.681  0.264  1.0
  O  O5  1  0.261  0.236  0.819  1.0
  O  O6  1  0.761  0.319  0.736  1.0
  O  O7  1  0.739  0.764  0.181  1.0
  O  O8  1  0.250  0.807  0.693  1.0
  O  O9  1  0.750  0.193  0.307  1.0
[/CIF]
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