The material structure described by LaMnO3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.137
_cell_length_b   5.807
_cell_length_c   12.905
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.049
_cell_formula_units_Z   4
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  0.601  0.639  0.250  1.0
  La  La1  1  0.399  0.361  0.750  1.0
  La  La2  1  0.101  0.861  0.750  1.0
  La  La3  1  0.899  0.139  0.250  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.255  0.244  0.571  1.0
  O  O9  1  0.630  0.016  0.750  1.0
  O  O10  1  0.370  0.984  0.250  1.0
  O  O11  1  0.745  0.756  0.071  1.0
  O  O12  1  0.745  0.756  0.429  1.0
  O  O13  1  0.755  0.256  0.071  1.0
  O  O14  1  0.130  0.484  0.250  1.0
  O  O15  1  0.245  0.744  0.929  1.0
  O  O16  1  0.245  0.744  0.571  1.0
  O  O17  1  0.870  0.516  0.750  1.0
  O  O18  1  0.255  0.244  0.929  1.0
  O  O19  1  0.755  0.256  0.429  1.0
[/CIF]
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The material structure described by LaMnO3 crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.137
_cell_length_b   5.807
_cell_length_c   12.905
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   310.049
_cell_formula_units_Z   4
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  0.601  0.639  0.250  1.0
  La  La1  1  0.399  0.361  0.750  1.0
  La  La2  1  0.101  0.861  0.750  1.0
  La  La3  1  0.899  0.139  0.250  1.0
  Mn  Mn4  1  0.000  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.000  0.000  1.0
  Mn  Mn6  1  0.500  0.500  0.500  1.0
  Mn  Mn7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.255  0.244  0.571  1.0
  O  O9  1  0.630  0.016  0.750  1.0
  O  O10  1  0.370  0.984  0.250  1.0
  O  O11  1  0.745  0.756  0.071  1.0
  O  O12  1  0.745  0.756  0.429  1.0
  O  O13  1  0.755  0.256  0.071  1.0
  O  O14  1  0.130  0.484  0.250  1.0
  O  O15  1  0.245  0.744  0.929  1.0
  O  O16  1  0.245  0.744  0.571  1.0
  O  O17  1  0.870  0.516  0.750  1.0
  O  O18  1  0.255  0.244  0.929  1.0
  O  O19  1  0.755  0.256  0.429  1.0
[/CIF]
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