The material described by HoYO3 crystallizes in the hexagonal P6_3cm space group. Ho(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form corner-sharing HoO5 trigonal bipyramids. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(1), and three equivalent O(2) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ho(1), one Y(2), and two equivalent Y(1) atoms to form OY3Ho tetrahedra that share corners with two equivalent O(4)YHo3 tetrahedra, corners with four equivalent O(2)Y3Ho tetrahedra, corners with six equivalent O(1)Y3Ho tetrahedra, edges with three equivalent O(2)Y3Ho tetrahedra, and edges with two equivalent O(3)YHo3 trigonal pyramids. In the second O site, O(2) is bonded to one Ho(1), one Y(2), and two equivalent Y(1) atoms to form OY3Ho tetrahedra that share corners with four equivalent O(1)Y3Ho tetrahedra, corners with six equivalent O(2)Y3Ho tetrahedra, corners with four equivalent O(3)YHo3 trigonal pyramids,  an edgeedge with one O(4)YHo3 tetrahedra, and edges with three equivalent O(1)Y3Ho tetrahedra. In the third O site, O(3) is bonded to three equivalent Ho(1) and one Y(1) atom to form distorted OYHo3 trigonal pyramids that share corners with three equivalent O(4)YHo3 tetrahedra, corners with six equivalent O(2)Y3Ho tetrahedra, corners with three equivalent O(3)YHo3 trigonal pyramids, and edges with three equivalent O(1)Y3Ho tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Ho(1) and one Y(2) atom to form distorted OYHo3 tetrahedra that share corners with six equivalent O(1)Y3Ho tetrahedra, corners with six equivalent O(3)YHo3 trigonal pyramids, and edges with three equivalent O(2)Y3Ho tetrahedra. is represented by the CIF file [CIF]
data_YHoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.425
_cell_length_b   6.425
_cell_length_c   12.765
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   456.368
_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
  Y  Y0  1  0.333  0.667  0.237  1.0
  Y  Y1  1  0.000  0.000  0.270  1.0
  Y  Y2  1  0.000  0.000  0.770  1.0
  Y  Y3  1  0.333  0.667  0.737  1.0
  Y  Y4  1  0.667  0.333  0.737  1.0
  Y  Y5  1  0.667  0.333  0.237  1.0
  Ho  Ho6  1  0.000  0.667  0.501  1.0
  Ho  Ho7  1  0.000  0.333  0.001  1.0
  Ho  Ho8  1  0.333  0.333  0.501  1.0
  Ho  Ho9  1  0.667  0.667  0.001  1.0
  Ho  Ho10  1  0.333  0.000  0.001  1.0
  Ho  Ho11  1  0.667  0.000  0.501  1.0
  O  O12  1  0.000  0.693  0.675  1.0
  O  O13  1  0.000  0.638  0.330  1.0
  O  O14  1  0.000  0.362  0.830  1.0
  O  O15  1  0.000  0.307  0.175  1.0
  O  O16  1  0.333  0.667  0.029  1.0
  O  O17  1  0.000  0.000  0.468  1.0
  O  O18  1  0.000  0.000  0.968  1.0
  O  O19  1  0.333  0.667  0.529  1.0
  O  O20  1  0.307  0.307  0.675  1.0
  O  O21  1  0.362  0.362  0.330  1.0
  O  O22  1  0.307  0.000  0.175  1.0
  O  O23  1  0.638  0.638  0.830  1.0
  O  O24  1  0.693  0.693  0.175  1.0
  O  O25  1  0.362  0.000  0.830  1.0
  O  O26  1  0.667  0.333  0.529  1.0
  O  O27  1  0.667  0.333  0.029  1.0
  O  O28  1  0.638  0.000  0.330  1.0
  O  O29  1  0.693  0.000  0.675  1.0
[/CIF]
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The material described by HoYO3 crystallizes in the hexagonal P6_3cm space group. Ho(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form corner-sharing HoO5 trigonal bipyramids. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one O(3), three equivalent O(1), and three equivalent O(2) atoms. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(4), three equivalent O(1), and three equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ho(1), one Y(2), and two equivalent Y(1) atoms to form OY3Ho tetrahedra that share corners with two equivalent O(4)YHo3 tetrahedra, corners with four equivalent O(2)Y3Ho tetrahedra, corners with six equivalent O(1)Y3Ho tetrahedra, edges with three equivalent O(2)Y3Ho tetrahedra, and edges with two equivalent O(3)YHo3 trigonal pyramids. In the second O site, O(2) is bonded to one Ho(1), one Y(2), and two equivalent Y(1) atoms to form OY3Ho tetrahedra that share corners with four equivalent O(1)Y3Ho tetrahedra, corners with six equivalent O(2)Y3Ho tetrahedra, corners with four equivalent O(3)YHo3 trigonal pyramids,  an edgeedge with one O(4)YHo3 tetrahedra, and edges with three equivalent O(1)Y3Ho tetrahedra. In the third O site, O(3) is bonded to three equivalent Ho(1) and one Y(1) atom to form distorted OYHo3 trigonal pyramids that share corners with three equivalent O(4)YHo3 tetrahedra, corners with six equivalent O(2)Y3Ho tetrahedra, corners with three equivalent O(3)YHo3 trigonal pyramids, and edges with three equivalent O(1)Y3Ho tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Ho(1) and one Y(2) atom to form distorted OYHo3 tetrahedra that share corners with six equivalent O(1)Y3Ho tetrahedra, corners with six equivalent O(3)YHo3 trigonal pyramids, and edges with three equivalent O(2)Y3Ho tetrahedra. is represented by the CIF file [CIF]
data_YHoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.425
_cell_length_b   6.425
_cell_length_c   12.765
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   456.368
_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
  Y  Y0  1  0.333  0.667  0.237  1.0
  Y  Y1  1  0.000  0.000  0.270  1.0
  Y  Y2  1  0.000  0.000  0.770  1.0
  Y  Y3  1  0.333  0.667  0.737  1.0
  Y  Y4  1  0.667  0.333  0.737  1.0
  Y  Y5  1  0.667  0.333  0.237  1.0
  Ho  Ho6  1  0.000  0.667  0.501  1.0
  Ho  Ho7  1  0.000  0.333  0.001  1.0
  Ho  Ho8  1  0.333  0.333  0.501  1.0
  Ho  Ho9  1  0.667  0.667  0.001  1.0
  Ho  Ho10  1  0.333  0.000  0.001  1.0
  Ho  Ho11  1  0.667  0.000  0.501  1.0
  O  O12  1  0.000  0.693  0.675  1.0
  O  O13  1  0.000  0.638  0.330  1.0
  O  O14  1  0.000  0.362  0.830  1.0
  O  O15  1  0.000  0.307  0.175  1.0
  O  O16  1  0.333  0.667  0.029  1.0
  O  O17  1  0.000  0.000  0.468  1.0
  O  O18  1  0.000  0.000  0.968  1.0
  O  O19  1  0.333  0.667  0.529  1.0
  O  O20  1  0.307  0.307  0.675  1.0
  O  O21  1  0.362  0.362  0.330  1.0
  O  O22  1  0.307  0.000  0.175  1.0
  O  O23  1  0.638  0.638  0.830  1.0
  O  O24  1  0.693  0.693  0.175  1.0
  O  O25  1  0.362  0.000  0.830  1.0
  O  O26  1  0.667  0.333  0.529  1.0
  O  O27  1  0.667  0.333  0.029  1.0
  O  O28  1  0.638  0.000  0.330  1.0
  O  O29  1  0.693  0.000  0.675  1.0
[/CIF]
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