The compound described by HoMnO3 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(5), and two equivalent O(6) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Ho(1), one Mn(1), and two equivalent Mn(2) atoms to form corner-sharing OHoMn3 trigonal pyramids. In the second O site, O(6) is bonded to one Ho(2), one Mn(1), and two equivalent Mn(2) atoms to form corner-sharing OHoMn3 tetrahedra. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ho(1), two equivalent Ho(2), and one Mn(1) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Ho(1), two equivalent Ho(2), and two equivalent Mn(2) atoms. In the fifth O site, O(3) is bonded in a trigonal non-coplanar geometry to one Ho(1) and two equivalent Ho(2) atoms. In the sixth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ho(1) and two equivalent Ho(2) atoms. is represented by the CIF card [CIF]
data_HoMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.117
_cell_length_b   6.117
_cell_length_c   12.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.391
_symmetry_Int_Tables_number   1
_cell_volume   382.683
_cell_formula_units_Z   6
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
  Ho  Ho0  1  0.028  0.028  0.339  1.0
  Ho  Ho1  1  0.972  0.972  0.839  1.0
  Ho  Ho2  1  0.701  0.367  0.287  1.0
  Ho  Ho3  1  0.367  0.701  0.287  1.0
  Ho  Ho4  1  0.299  0.633  0.787  1.0
  Ho  Ho5  1  0.633  0.299  0.787  1.0
  Mn  Mn6  1  0.401  0.401  0.042  1.0
  Mn  Mn7  1  0.042  0.684  0.022  1.0
  Mn  Mn8  1  0.684  0.042  0.022  1.0
  Mn  Mn9  1  0.599  0.599  0.542  1.0
  Mn  Mn10  1  0.958  0.316  0.522  1.0
  Mn  Mn11  1  0.316  0.958  0.522  1.0
  O  O12  1  0.413  0.413  0.418  1.0
  O  O13  1  0.059  0.652  0.424  1.0
  O  O14  1  0.652  0.059  0.424  1.0
  O  O15  1  0.587  0.587  0.918  1.0
  O  O16  1  0.941  0.348  0.924  1.0
  O  O17  1  0.348  0.941  0.924  1.0
  O  O18  1  0.713  0.713  0.250  1.0
  O  O19  1  0.017  0.318  0.248  1.0
  O  O20  1  0.318  0.017  0.248  1.0
  O  O21  1  0.287  0.287  0.750  1.0
  O  O22  1  0.983  0.682  0.748  1.0
  O  O23  1  0.682  0.983  0.748  1.0
  O  O24  1  0.981  0.981  0.529  1.0
  O  O25  1  0.019  0.019  0.029  1.0
  O  O26  1  0.705  0.383  0.091  1.0
  O  O27  1  0.383  0.705  0.091  1.0
  O  O28  1  0.295  0.617  0.591  1.0
  O  O29  1  0.617  0.295  0.591  1.0
[/CIF]
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The compound described by HoMnO3 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. In the second Ho site, Ho(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted tetrahedral geometry to one O(1), one O(5), and two equivalent O(6) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(2), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Ho(1), one Mn(1), and two equivalent Mn(2) atoms to form corner-sharing OHoMn3 trigonal pyramids. In the second O site, O(6) is bonded to one Ho(2), one Mn(1), and two equivalent Mn(2) atoms to form corner-sharing OHoMn3 tetrahedra. In the third O site, O(1) is bonded in a 4-coordinate geometry to one Ho(1), two equivalent Ho(2), and one Mn(1) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Ho(1), two equivalent Ho(2), and two equivalent Mn(2) atoms. In the fifth O site, O(3) is bonded in a trigonal non-coplanar geometry to one Ho(1) and two equivalent Ho(2) atoms. In the sixth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Ho(1) and two equivalent Ho(2) atoms. is represented by the CIF card [CIF]
data_HoMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.117
_cell_length_b   6.117
_cell_length_c   12.544
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.391
_symmetry_Int_Tables_number   1
_cell_volume   382.683
_cell_formula_units_Z   6
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
  Ho  Ho0  1  0.028  0.028  0.339  1.0
  Ho  Ho1  1  0.972  0.972  0.839  1.0
  Ho  Ho2  1  0.701  0.367  0.287  1.0
  Ho  Ho3  1  0.367  0.701  0.287  1.0
  Ho  Ho4  1  0.299  0.633  0.787  1.0
  Ho  Ho5  1  0.633  0.299  0.787  1.0
  Mn  Mn6  1  0.401  0.401  0.042  1.0
  Mn  Mn7  1  0.042  0.684  0.022  1.0
  Mn  Mn8  1  0.684  0.042  0.022  1.0
  Mn  Mn9  1  0.599  0.599  0.542  1.0
  Mn  Mn10  1  0.958  0.316  0.522  1.0
  Mn  Mn11  1  0.316  0.958  0.522  1.0
  O  O12  1  0.413  0.413  0.418  1.0
  O  O13  1  0.059  0.652  0.424  1.0
  O  O14  1  0.652  0.059  0.424  1.0
  O  O15  1  0.587  0.587  0.918  1.0
  O  O16  1  0.941  0.348  0.924  1.0
  O  O17  1  0.348  0.941  0.924  1.0
  O  O18  1  0.713  0.713  0.250  1.0
  O  O19  1  0.017  0.318  0.248  1.0
  O  O20  1  0.318  0.017  0.248  1.0
  O  O21  1  0.287  0.287  0.750  1.0
  O  O22  1  0.983  0.682  0.748  1.0
  O  O23  1  0.682  0.983  0.748  1.0
  O  O24  1  0.981  0.981  0.529  1.0
  O  O25  1  0.019  0.019  0.029  1.0
  O  O26  1  0.705  0.383  0.091  1.0
  O  O27  1  0.383  0.705  0.091  1.0
  O  O28  1  0.295  0.617  0.591  1.0
  O  O29  1  0.617  0.295  0.591  1.0
[/CIF]
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