The compound described by Ho(BO2)6 crystallizes in the trigonal R3c space group. Ho(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ho(1) and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ho(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ho(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. is represented by the CIF card [CIF]
data_Ho(BO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   8.499
_cell_angle_alpha   59.909
_cell_angle_beta   59.909
_cell_angle_gamma   59.909
_symmetry_Int_Tables_number   1
_cell_volume   433.235
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Ho  Ho1  1  1.000  1.000  1.000  1.0
  B  B2  1  0.786  0.089  0.372  1.0
  B  B3  1  0.372  0.786  0.089  1.0
  B  B4  1  0.089  0.372  0.786  1.0
  B  B5  1  0.872  0.589  0.286  1.0
  B  B6  1  0.286  0.872  0.589  1.0
  B  B7  1  0.589  0.286  0.872  1.0
  B  B8  1  0.884  0.394  0.616  1.0
  B  B9  1  0.616  0.884  0.394  1.0
  B  B10  1  0.394  0.616  0.884  1.0
  B  B11  1  0.116  0.894  0.384  1.0
  B  B12  1  0.384  0.116  0.894  1.0
  B  B13  1  0.894  0.384  0.116  1.0
  O  O14  1  0.190  0.492  0.608  1.0
  O  O15  1  0.608  0.190  0.492  1.0
  O  O16  1  0.492  0.608  0.190  1.0
  O  O17  1  0.108  0.992  0.690  1.0
  O  O18  1  0.690  0.108  0.992  1.0
  O  O19  1  0.992  0.690  0.108  1.0
  O  O20  1  0.761  0.954  0.329  1.0
  O  O21  1  0.329  0.761  0.954  1.0
  O  O22  1  0.954  0.329  0.761  1.0
  O  O23  1  0.829  0.454  0.261  1.0
  O  O24  1  0.261  0.829  0.454  1.0
  O  O25  1  0.454  0.261  0.829  1.0
  O  O26  1  0.668  0.719  0.358  1.0
  O  O27  1  0.358  0.668  0.719  1.0
  O  O28  1  0.719  0.358  0.668  1.0
  O  O29  1  0.858  0.219  0.168  1.0
  O  O30  1  0.168  0.858  0.219  1.0
  O  O31  1  0.219  0.168  0.858  1.0
  O  O32  1  0.929  0.992  0.466  1.0
  O  O33  1  0.466  0.929  0.992  1.0
  O  O34  1  0.992  0.466  0.929  1.0
  O  O35  1  0.966  0.492  0.429  1.0
  O  O36  1  0.429  0.966  0.492  1.0
  O  O37  1  0.492  0.429  0.966  1.0
[/CIF]
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The compound described by Ho(BO2)6 crystallizes in the trigonal R3c space group. Ho(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ho(1) and one B(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Ho(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Ho(1), one B(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. is represented by the CIF card [CIF]
data_Ho(BO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   8.499
_cell_angle_alpha   59.909
_cell_angle_beta   59.909
_cell_angle_gamma   59.909
_symmetry_Int_Tables_number   1
_cell_volume   433.235
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Ho  Ho1  1  1.000  1.000  1.000  1.0
  B  B2  1  0.786  0.089  0.372  1.0
  B  B3  1  0.372  0.786  0.089  1.0
  B  B4  1  0.089  0.372  0.786  1.0
  B  B5  1  0.872  0.589  0.286  1.0
  B  B6  1  0.286  0.872  0.589  1.0
  B  B7  1  0.589  0.286  0.872  1.0
  B  B8  1  0.884  0.394  0.616  1.0
  B  B9  1  0.616  0.884  0.394  1.0
  B  B10  1  0.394  0.616  0.884  1.0
  B  B11  1  0.116  0.894  0.384  1.0
  B  B12  1  0.384  0.116  0.894  1.0
  B  B13  1  0.894  0.384  0.116  1.0
  O  O14  1  0.190  0.492  0.608  1.0
  O  O15  1  0.608  0.190  0.492  1.0
  O  O16  1  0.492  0.608  0.190  1.0
  O  O17  1  0.108  0.992  0.690  1.0
  O  O18  1  0.690  0.108  0.992  1.0
  O  O19  1  0.992  0.690  0.108  1.0
  O  O20  1  0.761  0.954  0.329  1.0
  O  O21  1  0.329  0.761  0.954  1.0
  O  O22  1  0.954  0.329  0.761  1.0
  O  O23  1  0.829  0.454  0.261  1.0
  O  O24  1  0.261  0.829  0.454  1.0
  O  O25  1  0.454  0.261  0.829  1.0
  O  O26  1  0.668  0.719  0.358  1.0
  O  O27  1  0.358  0.668  0.719  1.0
  O  O28  1  0.719  0.358  0.668  1.0
  O  O29  1  0.858  0.219  0.168  1.0
  O  O30  1  0.168  0.858  0.219  1.0
  O  O31  1  0.219  0.168  0.858  1.0
  O  O32  1  0.929  0.992  0.466  1.0
  O  O33  1  0.466  0.929  0.992  1.0
  O  O34  1  0.992  0.466  0.929  1.0
  O  O35  1  0.966  0.492  0.429  1.0
  O  O36  1  0.429  0.966  0.492  1.0
  O  O37  1  0.492  0.429  0.966  1.0
[/CIF]
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