The structure described by LaMnO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent La(2)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. In the second La site, La(2) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(6), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mn site, Mn(2) is bonded to one O(7), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Mn site, Mn(3) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(8), two equivalent O(10), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent La(1), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to four equivalent La(2), one Mn(1), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to four equivalent La(1), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to four equivalent La(2), one Mn(2), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), one Mn(1), and one Mn(4) atom. is represented by the CIF card [CIF]
data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   3.945
_cell_length_c   3.952
_cell_angle_alpha   89.996
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   61.407
_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
  La  La0  1  -0.000  1.002  1.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  O  O2  1  1.000  0.499  0.500  1.0
  O  O3  1  0.500  1.000  0.500  1.0
  O  O4  1  0.500  0.499  1.000  1.0
[/CIF]
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The structure described by LaMnO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(1)O12 cuboctahedra, corners with eight equivalent La(2)O12 cuboctahedra, faces with two equivalent La(2)O12 cuboctahedra, faces with four equivalent La(1)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. In the second La site, La(2) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(6), two equivalent O(8), and two equivalent O(9) atoms to form LaO12 cuboctahedra that share corners with four equivalent La(2)O12 cuboctahedra, corners with eight equivalent La(1)O12 cuboctahedra, faces with two equivalent La(1)O12 cuboctahedra, faces with four equivalent La(2)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Mn(4)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(6), one O(7), two equivalent O(10), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Mn site, Mn(2) is bonded to one O(7), one O(8), two equivalent O(3), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Mn site, Mn(3) is bonded to one O(5), one O(6), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Mn site, Mn(4) is bonded to one O(5), one O(8), two equivalent O(10), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with four equivalent La(1)O12 cuboctahedra, and faces with four equivalent La(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Mn(3) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), and two equivalent Mn(4) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to four equivalent La(1), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to four equivalent La(2), one Mn(1), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to four equivalent La(1), one Mn(1), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to four equivalent La(2), one Mn(2), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), one Mn(2), and one Mn(3) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent La(1), two equivalent La(2), one Mn(1), and one Mn(4) atom. is represented by the CIF card [CIF]
data_LaMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.939
_cell_length_b   3.945
_cell_length_c   3.952
_cell_angle_alpha   89.996
_cell_angle_beta   90.001
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   61.407
_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
  La  La0  1  -0.000  1.002  1.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  O  O2  1  1.000  0.499  0.500  1.0
  O  O3  1  0.500  1.000  0.500  1.0
  O  O4  1  0.500  0.499  1.000  1.0
[/CIF]
.