The compound described by Y(BO2)6 crystallizes in the trigonal R3c space group. Y(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 trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one O(1), 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 2-coordinate geometry to one Y(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one B(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Y(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 Crystallographic Information File (CIF) [CIF]
data_Y(BO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.518
_cell_length_b   8.518
_cell_length_c   8.518
_cell_angle_alpha   60.209
_cell_angle_beta   60.209
_cell_angle_gamma   60.209
_symmetry_Int_Tables_number   1
_cell_volume   439.033
_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
  Y  Y0  1  0.180  0.180  0.180  1.0
  Y  Y1  1  0.680  0.680  0.680  1.0
  B  B2  1  0.574  0.796  0.064  1.0
  B  B3  1  0.796  0.064  0.574  1.0
  B  B4  1  0.064  0.574  0.796  1.0
  B  B5  1  0.074  0.564  0.296  1.0
  B  B6  1  0.564  0.296  0.074  1.0
  B  B7  1  0.296  0.074  0.564  1.0
  B  B8  1  0.769  0.467  0.051  1.0
  B  B9  1  0.467  0.051  0.769  1.0
  B  B10  1  0.051  0.769  0.467  1.0
  B  B11  1  0.269  0.551  0.967  1.0
  B  B12  1  0.551  0.967  0.269  1.0
  B  B13  1  0.967  0.269  0.551  1.0
  O  O14  1  0.508  0.940  0.136  1.0
  O  O15  1  0.940  0.136  0.508  1.0
  O  O16  1  0.136  0.508  0.940  1.0
  O  O17  1  0.008  0.636  0.440  1.0
  O  O18  1  0.636  0.440  0.008  1.0
  O  O19  1  0.440  0.008  0.636  1.0
  O  O20  1  0.868  0.291  0.173  1.0
  O  O21  1  0.291  0.173  0.868  1.0
  O  O22  1  0.173  0.868  0.291  1.0
  O  O23  1  0.368  0.673  0.791  1.0
  O  O24  1  0.673  0.791  0.368  1.0
  O  O25  1  0.791  0.368  0.673  1.0
  O  O26  1  0.399  0.350  0.037  1.0
  O  O27  1  0.350  0.037  0.399  1.0
  O  O28  1  0.037  0.399  0.350  1.0
  O  O29  1  0.899  0.537  0.850  1.0
  O  O30  1  0.537  0.850  0.899  1.0
  O  O31  1  0.850  0.899  0.537  1.0
  O  O32  1  0.671  0.610  0.144  1.0
  O  O33  1  0.610  0.144  0.671  1.0
  O  O34  1  0.144  0.671  0.610  1.0
  O  O35  1  0.171  0.644  0.110  1.0
  O  O36  1  0.644  0.110  0.171  1.0
  O  O37  1  0.110  0.171  0.644  1.0
[/CIF]
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The compound described by Y(BO2)6 crystallizes in the trigonal R3c space group. Y(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 trigonal planar geometry to one O(1), one O(3), and one O(4) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to one O(1), 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 2-coordinate geometry to one Y(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Y(1) and one B(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Y(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 Crystallographic Information File (CIF) [CIF]
data_Y(BO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.518
_cell_length_b   8.518
_cell_length_c   8.518
_cell_angle_alpha   60.209
_cell_angle_beta   60.209
_cell_angle_gamma   60.209
_symmetry_Int_Tables_number   1
_cell_volume   439.033
_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
  Y  Y0  1  0.180  0.180  0.180  1.0
  Y  Y1  1  0.680  0.680  0.680  1.0
  B  B2  1  0.574  0.796  0.064  1.0
  B  B3  1  0.796  0.064  0.574  1.0
  B  B4  1  0.064  0.574  0.796  1.0
  B  B5  1  0.074  0.564  0.296  1.0
  B  B6  1  0.564  0.296  0.074  1.0
  B  B7  1  0.296  0.074  0.564  1.0
  B  B8  1  0.769  0.467  0.051  1.0
  B  B9  1  0.467  0.051  0.769  1.0
  B  B10  1  0.051  0.769  0.467  1.0
  B  B11  1  0.269  0.551  0.967  1.0
  B  B12  1  0.551  0.967  0.269  1.0
  B  B13  1  0.967  0.269  0.551  1.0
  O  O14  1  0.508  0.940  0.136  1.0
  O  O15  1  0.940  0.136  0.508  1.0
  O  O16  1  0.136  0.508  0.940  1.0
  O  O17  1  0.008  0.636  0.440  1.0
  O  O18  1  0.636  0.440  0.008  1.0
  O  O19  1  0.440  0.008  0.636  1.0
  O  O20  1  0.868  0.291  0.173  1.0
  O  O21  1  0.291  0.173  0.868  1.0
  O  O22  1  0.173  0.868  0.291  1.0
  O  O23  1  0.368  0.673  0.791  1.0
  O  O24  1  0.673  0.791  0.368  1.0
  O  O25  1  0.791  0.368  0.673  1.0
  O  O26  1  0.399  0.350  0.037  1.0
  O  O27  1  0.350  0.037  0.399  1.0
  O  O28  1  0.037  0.399  0.350  1.0
  O  O29  1  0.899  0.537  0.850  1.0
  O  O30  1  0.537  0.850  0.899  1.0
  O  O31  1  0.850  0.899  0.537  1.0
  O  O32  1  0.671  0.610  0.144  1.0
  O  O33  1  0.610  0.144  0.671  1.0
  O  O34  1  0.144  0.671  0.610  1.0
  O  O35  1  0.171  0.644  0.110  1.0
  O  O36  1  0.644  0.110  0.171  1.0
  O  O37  1  0.110  0.171  0.644  1.0
[/CIF]
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