The structure described by LuMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 8-coordinate geometry to two 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 39-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Lu(1) and two equivalent Mn(1) atoms to form distorted corner-sharing OLu2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_LuMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.775
_cell_length_c   7.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.334
_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
  Lu  Lu0  1  0.021  0.917  0.750  1.0
  Lu  Lu1  1  0.521  0.583  0.250  1.0
  Lu  Lu2  1  0.479  0.417  0.750  1.0
  Lu  Lu3  1  0.979  0.083  0.250  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.000  1.0
  Mn  Mn7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.697  0.327  0.438  1.0
  O  O9  1  0.197  0.173  0.562  1.0
  O  O10  1  0.803  0.827  0.062  1.0
  O  O11  1  0.303  0.673  0.938  1.0
  O  O12  1  0.303  0.673  0.562  1.0
  O  O13  1  0.803  0.827  0.438  1.0
  O  O14  1  0.197  0.173  0.938  1.0
  O  O15  1  0.697  0.327  0.062  1.0
  O  O16  1  0.131  0.450  0.250  1.0
  O  O17  1  0.631  0.050  0.750  1.0
  O  O18  1  0.369  0.950  0.250  1.0
  O  O19  1  0.869  0.550  0.750  1.0
[/CIF]
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The structure described by LuMnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Lu(1) is bonded in a 8-coordinate geometry to two 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 39-44°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Lu(1) and two equivalent Mn(1) atoms to form distorted corner-sharing OLu2Mn2 trigonal pyramids. is represented by the CIF card [CIF]
data_LuMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.242
_cell_length_b   5.775
_cell_length_c   7.444
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.334
_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
  Lu  Lu0  1  0.021  0.917  0.750  1.0
  Lu  Lu1  1  0.521  0.583  0.250  1.0
  Lu  Lu2  1  0.479  0.417  0.750  1.0
  Lu  Lu3  1  0.979  0.083  0.250  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.000  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.000  1.0
  Mn  Mn7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.697  0.327  0.438  1.0
  O  O9  1  0.197  0.173  0.562  1.0
  O  O10  1  0.803  0.827  0.062  1.0
  O  O11  1  0.303  0.673  0.938  1.0
  O  O12  1  0.303  0.673  0.562  1.0
  O  O13  1  0.803  0.827  0.438  1.0
  O  O14  1  0.197  0.173  0.938  1.0
  O  O15  1  0.697  0.327  0.062  1.0
  O  O16  1  0.131  0.450  0.250  1.0
  O  O17  1  0.631  0.050  0.750  1.0
  O  O18  1  0.369  0.950  0.250  1.0
  O  O19  1  0.869  0.550  0.750  1.0
[/CIF]
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