The material described by HoMnO3 crystallizes in the hexagonal P6_3cm 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), three equivalent O(3), and three equivalent O(4) atoms. In the second Ho site, Ho(2) is bonded to one O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted HoO7 pentagonal bipyramids that share corners with three equivalent Mn(1)O5 trigonal bipyramids and edges with three equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Ho(2)O7 pentagonal bipyramid, corners with six equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Ho(2)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ho(1) and three equivalent Mn(1) atoms to form OHoMn3 trigonal pyramids that share corners with six equivalent O(3)Ho3Mn tetrahedra, corners with three equivalent O(1)HoMn3 trigonal pyramids, corners with three equivalent O(2)HoMn3 trigonal pyramids, and edges with three equivalent O(4)Ho3Mn tetrahedra. In the second O site, O(2) is bonded to one Ho(2) and three equivalent Mn(1) atoms to form OHoMn3 trigonal pyramids that share corners with six equivalent O(4)Ho3Mn tetrahedra, corners with six equivalent O(1)HoMn3 trigonal pyramids, and edges with three equivalent O(3)Ho3Mn tetrahedra. In the third O site, O(3) is bonded to one Ho(2), two equivalent Ho(1), and one Mn(1) atom to form distorted OHo3Mn tetrahedra that share corners with four equivalent O(4)Ho3Mn tetrahedra, corners with six equivalent O(3)Ho3Mn tetrahedra, corners with four equivalent O(1)HoMn3 trigonal pyramids, edges with three equivalent O(4)Ho3Mn tetrahedra, and  an edgeedge with one O(2)HoMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ho(2), two equivalent Ho(1), and one Mn(1) atom to form OHo3Mn tetrahedra that share corners with four equivalent O(3)Ho3Mn tetrahedra, corners with six equivalent O(4)Ho3Mn tetrahedra, corners with two equivalent O(2)HoMn3 trigonal pyramids, edges with three equivalent O(3)Ho3Mn tetrahedra, and edges with two equivalent O(1)HoMn3 trigonal pyramids. is represented by the CIF file [CIF]
data_HoMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   6.107
_cell_length_c   11.408
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   368.505
_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  0.667  0.333  0.230  1.0
  Ho  Ho1  1  0.333  0.667  0.730  1.0
  Ho  Ho2  1  0.667  0.333  0.730  1.0
  Ho  Ho3  1  0.333  0.667  0.230  1.0
  Ho  Ho4  1  1.000  1.000  0.775  1.0
  Ho  Ho5  1  0.000  0.000  0.275  1.0
  Mn  Mn6  1  0.666  1.000  0.499  1.0
  Mn  Mn7  1  0.666  0.666  0.999  1.0
  Mn  Mn8  1  0.000  0.334  0.999  1.0
  Mn  Mn9  1  1.000  0.666  0.499  1.0
  Mn  Mn10  1  0.334  0.334  0.499  1.0
  Mn  Mn11  1  0.334  0.000  0.999  1.0
  O  O12  1  0.667  0.333  0.019  1.0
  O  O13  1  0.333  0.667  0.519  1.0
  O  O14  1  0.667  0.333  0.519  1.0
  O  O15  1  0.333  0.667  0.019  1.0
  O  O16  1  1.000  1.000  0.976  1.0
  O  O17  1  0.000  0.000  0.476  1.0
  O  O18  1  0.360  0.000  0.836  1.0
  O  O19  1  0.360  0.360  0.336  1.0
  O  O20  1  1.000  0.640  0.336  1.0
  O  O21  1  0.000  0.360  0.836  1.0
  O  O22  1  0.640  0.640  0.836  1.0
  O  O23  1  0.640  1.000  0.336  1.0
  O  O24  1  0.306  0.000  0.163  1.0
  O  O25  1  0.306  0.306  0.663  1.0
  O  O26  1  1.000  0.694  0.663  1.0
  O  O27  1  0.000  0.306  0.163  1.0
  O  O28  1  0.694  0.694  0.163  1.0
  O  O29  1  0.694  1.000  0.663  1.0
[/CIF]
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The material described by HoMnO3 crystallizes in the hexagonal P6_3cm 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), three equivalent O(3), and three equivalent O(4) atoms. In the second Ho site, Ho(2) is bonded to one O(2), three equivalent O(3), and three equivalent O(4) atoms to form distorted HoO7 pentagonal bipyramids that share corners with three equivalent Mn(1)O5 trigonal bipyramids and edges with three equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Ho(2)O7 pentagonal bipyramid, corners with six equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Ho(2)O7 pentagonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ho(1) and three equivalent Mn(1) atoms to form OHoMn3 trigonal pyramids that share corners with six equivalent O(3)Ho3Mn tetrahedra, corners with three equivalent O(1)HoMn3 trigonal pyramids, corners with three equivalent O(2)HoMn3 trigonal pyramids, and edges with three equivalent O(4)Ho3Mn tetrahedra. In the second O site, O(2) is bonded to one Ho(2) and three equivalent Mn(1) atoms to form OHoMn3 trigonal pyramids that share corners with six equivalent O(4)Ho3Mn tetrahedra, corners with six equivalent O(1)HoMn3 trigonal pyramids, and edges with three equivalent O(3)Ho3Mn tetrahedra. In the third O site, O(3) is bonded to one Ho(2), two equivalent Ho(1), and one Mn(1) atom to form distorted OHo3Mn tetrahedra that share corners with four equivalent O(4)Ho3Mn tetrahedra, corners with six equivalent O(3)Ho3Mn tetrahedra, corners with four equivalent O(1)HoMn3 trigonal pyramids, edges with three equivalent O(4)Ho3Mn tetrahedra, and  an edgeedge with one O(2)HoMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Ho(2), two equivalent Ho(1), and one Mn(1) atom to form OHo3Mn tetrahedra that share corners with four equivalent O(3)Ho3Mn tetrahedra, corners with six equivalent O(4)Ho3Mn tetrahedra, corners with two equivalent O(2)HoMn3 trigonal pyramids, edges with three equivalent O(3)Ho3Mn tetrahedra, and edges with two equivalent O(1)HoMn3 trigonal pyramids. is represented by the CIF file [CIF]
data_HoMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.107
_cell_length_b   6.107
_cell_length_c   11.408
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   368.505
_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  0.667  0.333  0.230  1.0
  Ho  Ho1  1  0.333  0.667  0.730  1.0
  Ho  Ho2  1  0.667  0.333  0.730  1.0
  Ho  Ho3  1  0.333  0.667  0.230  1.0
  Ho  Ho4  1  1.000  1.000  0.775  1.0
  Ho  Ho5  1  0.000  0.000  0.275  1.0
  Mn  Mn6  1  0.666  1.000  0.499  1.0
  Mn  Mn7  1  0.666  0.666  0.999  1.0
  Mn  Mn8  1  0.000  0.334  0.999  1.0
  Mn  Mn9  1  1.000  0.666  0.499  1.0
  Mn  Mn10  1  0.334  0.334  0.499  1.0
  Mn  Mn11  1  0.334  0.000  0.999  1.0
  O  O12  1  0.667  0.333  0.019  1.0
  O  O13  1  0.333  0.667  0.519  1.0
  O  O14  1  0.667  0.333  0.519  1.0
  O  O15  1  0.333  0.667  0.019  1.0
  O  O16  1  1.000  1.000  0.976  1.0
  O  O17  1  0.000  0.000  0.476  1.0
  O  O18  1  0.360  0.000  0.836  1.0
  O  O19  1  0.360  0.360  0.336  1.0
  O  O20  1  1.000  0.640  0.336  1.0
  O  O21  1  0.000  0.360  0.836  1.0
  O  O22  1  0.640  0.640  0.836  1.0
  O  O23  1  0.640  1.000  0.336  1.0
  O  O24  1  0.306  0.000  0.163  1.0
  O  O25  1  0.306  0.306  0.663  1.0
  O  O26  1  1.000  0.694  0.663  1.0
  O  O27  1  0.000  0.306  0.163  1.0
  O  O28  1  0.694  0.694  0.163  1.0
  O  O29  1  0.694  1.000  0.663  1.0
[/CIF]
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