The compound described by YB6(HO4)3 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. H(1) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one B(2), and one H(1) atom. In the second 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 third O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Y(1), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YB6(HO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.453
_cell_length_b   8.453
_cell_length_c   8.453
_cell_angle_alpha   60.586
_cell_angle_beta   60.586
_cell_angle_gamma   60.586
_symmetry_Int_Tables_number   1
_cell_volume   432.755
_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  0.534  0.534  0.534  1.0
  Y  Y1  1  0.034  0.034  0.034  1.0
  B  B2  1  0.635  0.411  0.157  1.0
  B  B3  1  0.411  0.157  0.635  1.0
  B  B4  1  0.157  0.635  0.411  1.0
  B  B5  1  0.135  0.657  0.911  1.0
  B  B6  1  0.657  0.911  0.135  1.0
  B  B7  1  0.911  0.135  0.657  1.0
  B  B8  1  0.447  0.746  0.162  1.0
  B  B9  1  0.746  0.162  0.447  1.0
  B  B10  1  0.162  0.447  0.746  1.0
  B  B11  1  0.947  0.662  0.246  1.0
  B  B12  1  0.662  0.246  0.947  1.0
  B  B13  1  0.246  0.947  0.662  1.0
  H  H14  1  0.533  0.884  0.532  1.0
  H  H15  1  0.884  0.532  0.533  1.0
  H  H16  1  0.532  0.533  0.884  1.0
  H  H17  1  0.033  0.032  0.384  1.0
  H  H18  1  0.032  0.384  0.033  1.0
  H  H19  1  0.384  0.033  0.032  1.0
  O  O20  1  0.197  0.592  0.762  1.0
  O  O21  1  0.592  0.762  0.197  1.0
  O  O22  1  0.762  0.197  0.592  1.0
  O  O23  1  0.697  0.262  0.092  1.0
  O  O24  1  0.262  0.092  0.697  1.0
  O  O25  1  0.092  0.697  0.262  1.0
  O  O26  1  0.433  0.841  0.552  1.0
  O  O27  1  0.841  0.552  0.433  1.0
  O  O28  1  0.552  0.433  0.841  1.0
  O  O29  1  0.933  0.052  0.341  1.0
  O  O30  1  0.052  0.341  0.933  1.0
  O  O31  1  0.341  0.933  0.052  1.0
  O  O32  1  0.319  0.674  0.364  1.0
  O  O33  1  0.674  0.364  0.319  1.0
  O  O34  1  0.364  0.319  0.674  1.0
  O  O35  1  0.819  0.864  0.174  1.0
  O  O36  1  0.864  0.174  0.819  1.0
  O  O37  1  0.174  0.819  0.864  1.0
  O  O38  1  0.537  0.597  0.070  1.0
  O  O39  1  0.597  0.070  0.537  1.0
  O  O40  1  0.070  0.537  0.597  1.0
  O  O41  1  0.037  0.570  0.097  1.0
  O  O42  1  0.570  0.097  0.037  1.0
  O  O43  1  0.097  0.037  0.570  1.0
[/CIF]
.
The compound described by YB6(HO4)3 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. H(1) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one B(2), and one H(1) atom. In the second 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 third O site, O(4) is bonded in a bent 120 degrees geometry to one B(1) and one B(2) atom. In the fourth O site, O(1) is bonded in a 2-coordinate geometry to one Y(1), one B(1), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YB6(HO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.453
_cell_length_b   8.453
_cell_length_c   8.453
_cell_angle_alpha   60.586
_cell_angle_beta   60.586
_cell_angle_gamma   60.586
_symmetry_Int_Tables_number   1
_cell_volume   432.755
_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  0.534  0.534  0.534  1.0
  Y  Y1  1  0.034  0.034  0.034  1.0
  B  B2  1  0.635  0.411  0.157  1.0
  B  B3  1  0.411  0.157  0.635  1.0
  B  B4  1  0.157  0.635  0.411  1.0
  B  B5  1  0.135  0.657  0.911  1.0
  B  B6  1  0.657  0.911  0.135  1.0
  B  B7  1  0.911  0.135  0.657  1.0
  B  B8  1  0.447  0.746  0.162  1.0
  B  B9  1  0.746  0.162  0.447  1.0
  B  B10  1  0.162  0.447  0.746  1.0
  B  B11  1  0.947  0.662  0.246  1.0
  B  B12  1  0.662  0.246  0.947  1.0
  B  B13  1  0.246  0.947  0.662  1.0
  H  H14  1  0.533  0.884  0.532  1.0
  H  H15  1  0.884  0.532  0.533  1.0
  H  H16  1  0.532  0.533  0.884  1.0
  H  H17  1  0.033  0.032  0.384  1.0
  H  H18  1  0.032  0.384  0.033  1.0
  H  H19  1  0.384  0.033  0.032  1.0
  O  O20  1  0.197  0.592  0.762  1.0
  O  O21  1  0.592  0.762  0.197  1.0
  O  O22  1  0.762  0.197  0.592  1.0
  O  O23  1  0.697  0.262  0.092  1.0
  O  O24  1  0.262  0.092  0.697  1.0
  O  O25  1  0.092  0.697  0.262  1.0
  O  O26  1  0.433  0.841  0.552  1.0
  O  O27  1  0.841  0.552  0.433  1.0
  O  O28  1  0.552  0.433  0.841  1.0
  O  O29  1  0.933  0.052  0.341  1.0
  O  O30  1  0.052  0.341  0.933  1.0
  O  O31  1  0.341  0.933  0.052  1.0
  O  O32  1  0.319  0.674  0.364  1.0
  O  O33  1  0.674  0.364  0.319  1.0
  O  O34  1  0.364  0.319  0.674  1.0
  O  O35  1  0.819  0.864  0.174  1.0
  O  O36  1  0.864  0.174  0.819  1.0
  O  O37  1  0.174  0.819  0.864  1.0
  O  O38  1  0.537  0.597  0.070  1.0
  O  O39  1  0.597  0.070  0.537  1.0
  O  O40  1  0.070  0.537  0.597  1.0
  O  O41  1  0.037  0.570  0.097  1.0
  O  O42  1  0.570  0.097  0.037  1.0
  O  O43  1  0.097  0.037  0.570  1.0
[/CIF]
.