The compound described by Ho6ReO12 crystallizes in the trigonal R-3 space group. Ho(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Re(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ho(1) and one Re(1) atom. In the second O site, O(2) is bonded to four equivalent Ho(1) atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. is represented by the CIF file [CIF]
data_Ho6ReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.396
_cell_length_b   6.396
_cell_length_c   6.396
_cell_angle_alpha   98.767
_cell_angle_beta   98.767
_cell_angle_gamma   98.767
_symmetry_Int_Tables_number   1
_cell_volume   251.445
_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
  Ho  Ho0  1  0.390  0.856  0.685  1.0
  Ho  Ho1  1  0.315  0.610  0.144  1.0
  Ho  Ho2  1  0.144  0.315  0.610  1.0
  Ho  Ho3  1  0.856  0.685  0.390  1.0
  Ho  Ho4  1  0.685  0.390  0.856  1.0
  Ho  Ho5  1  0.610  0.144  0.315  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.037  0.927  0.703  1.0
  O  O8  1  0.297  0.963  0.073  1.0
  O  O9  1  0.177  0.590  0.432  1.0
  O  O10  1  0.568  0.823  0.410  1.0
  O  O11  1  0.073  0.297  0.963  1.0
  O  O12  1  0.410  0.568  0.823  1.0
  O  O13  1  0.590  0.432  0.177  1.0
  O  O14  1  0.927  0.703  0.037  1.0
  O  O15  1  0.432  0.177  0.590  1.0
  O  O16  1  0.823  0.410  0.568  1.0
  O  O17  1  0.703  0.037  0.927  1.0
  O  O18  1  0.963  0.073  0.297  1.0
[/CIF]
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The compound described by Ho6ReO12 crystallizes in the trigonal R-3 space group. Ho(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Re(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Ho(1) and one Re(1) atom. In the second O site, O(2) is bonded to four equivalent Ho(1) atoms to form a mixture of corner and edge-sharing OHo4 tetrahedra. is represented by the CIF file [CIF]
data_Ho6ReO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.396
_cell_length_b   6.396
_cell_length_c   6.396
_cell_angle_alpha   98.767
_cell_angle_beta   98.767
_cell_angle_gamma   98.767
_symmetry_Int_Tables_number   1
_cell_volume   251.445
_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
  Ho  Ho0  1  0.390  0.856  0.685  1.0
  Ho  Ho1  1  0.315  0.610  0.144  1.0
  Ho  Ho2  1  0.144  0.315  0.610  1.0
  Ho  Ho3  1  0.856  0.685  0.390  1.0
  Ho  Ho4  1  0.685  0.390  0.856  1.0
  Ho  Ho5  1  0.610  0.144  0.315  1.0
  Re  Re6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.037  0.927  0.703  1.0
  O  O8  1  0.297  0.963  0.073  1.0
  O  O9  1  0.177  0.590  0.432  1.0
  O  O10  1  0.568  0.823  0.410  1.0
  O  O11  1  0.073  0.297  0.963  1.0
  O  O12  1  0.410  0.568  0.823  1.0
  O  O13  1  0.590  0.432  0.177  1.0
  O  O14  1  0.927  0.703  0.037  1.0
  O  O15  1  0.432  0.177  0.590  1.0
  O  O16  1  0.823  0.410  0.568  1.0
  O  O17  1  0.703  0.037  0.927  1.0
  O  O18  1  0.963  0.073  0.297  1.0
[/CIF]
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