The material structure described by LaMnO3 crystallizes in the orthorhombic Pmc2_1 space group. La(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. There are three 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 four equivalent La(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent La(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.967
_cell_length_b   5.536
_cell_length_c   5.699
_cell_angle_alpha   89.990
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.152
_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  0.486  0.988  1.0
  La  La1  1  0.500  0.013  0.488  1.0
  Mn  Mn2  1  0.000  0.505  0.499  1.0
  Mn  Mn3  1  0.000  0.995  0.999  1.0
  O  O4  1  0.500  0.497  0.496  1.0
  O  O5  1  0.500  0.003  0.996  1.0
  O  O6  1  1.000  0.694  0.832  1.0
  O  O7  1  1.000  0.806  0.332  1.0
  O  O8  1  0.000  0.288  0.186  1.0
  O  O9  1  0.000  0.212  0.686  1.0
[/CIF]
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The material structure described by LaMnO3 crystallizes in the orthorhombic Pmc2_1 space group. La(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 3-31°. There are three 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 four equivalent La(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent La(1) and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.967
_cell_length_b   5.536
_cell_length_c   5.699
_cell_angle_alpha   89.990
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.152
_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  0.486  0.988  1.0
  La  La1  1  0.500  0.013  0.488  1.0
  Mn  Mn2  1  0.000  0.505  0.499  1.0
  Mn  Mn3  1  0.000  0.995  0.999  1.0
  O  O4  1  0.500  0.497  0.496  1.0
  O  O5  1  0.500  0.003  0.996  1.0
  O  O6  1  1.000  0.694  0.832  1.0
  O  O7  1  1.000  0.806  0.332  1.0
  O  O8  1  0.000  0.288  0.186  1.0
  O  O9  1  0.000  0.212  0.686  1.0
[/CIF]
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