The structure described by LaMnO3 crystallizes in the tetragonal P4/mbm space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two 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   3.996
_cell_length_b   5.564
_cell_length_c   5.565
_cell_angle_alpha   90.056
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   123.724
_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  0.500  0.500  0.000  1.0
  La  La1  1  0.500  1.000  0.500  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  1.000  1.0
  O  O4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.500  1.000  0.000  1.0
  O  O6  1  1.000  0.696  0.804  1.0
  O  O7  1  1.000  0.804  0.304  1.0
  O  O8  1  0.000  0.304  0.196  1.0
  O  O9  1  0.000  0.196  0.696  1.0
[/CIF]
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The structure described by LaMnO3 crystallizes in the tetragonal P4/mbm space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-24°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two 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   3.996
_cell_length_b   5.564
_cell_length_c   5.565
_cell_angle_alpha   90.056
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   123.724
_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  0.500  0.500  0.000  1.0
  La  La1  1  0.500  1.000  0.500  1.0
  Mn  Mn2  1  1.000  0.500  0.500  1.0
  Mn  Mn3  1  0.000  0.000  1.000  1.0
  O  O4  1  0.500  0.500  0.500  1.0
  O  O5  1  0.500  1.000  0.000  1.0
  O  O6  1  1.000  0.696  0.804  1.0
  O  O7  1  1.000  0.804  0.304  1.0
  O  O8  1  0.000  0.304  0.196  1.0
  O  O9  1  0.000  0.196  0.696  1.0
[/CIF]
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