The material structure described by Y(BO2)3 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three 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 two equivalent Y(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one B(2) atom. is represented by the CIF file [CIF]
data_Y(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.273
_cell_length_b   6.273
_cell_length_c   6.141
_cell_angle_alpha   63.062
_cell_angle_beta   63.062
_cell_angle_gamma   79.772
_symmetry_Int_Tables_number   1
_cell_volume   191.940
_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  0.708  0.292  0.250  1.0
  Y  Y1  1  0.292  0.708  0.750  1.0
  B  B2  1  0.277  0.723  0.250  1.0
  B  B3  1  0.165  0.291  0.406  1.0
  B  B4  1  0.291  0.165  0.906  1.0
  B  B5  1  0.709  0.835  0.094  1.0
  B  B6  1  0.835  0.709  0.594  1.0
  B  B7  1  0.723  0.277  0.750  1.0
  O  O8  1  0.082  0.717  0.498  1.0
  O  O9  1  0.489  0.717  0.298  1.0
  O  O10  1  0.300  0.112  0.487  1.0
  O  O11  1  0.112  0.300  0.987  1.0
  O  O12  1  0.283  0.511  0.202  1.0
  O  O13  1  0.283  0.918  0.002  1.0
  O  O14  1  0.717  0.082  0.998  1.0
  O  O15  1  0.717  0.489  0.798  1.0
  O  O16  1  0.888  0.700  0.013  1.0
  O  O17  1  0.700  0.888  0.513  1.0
  O  O18  1  0.511  0.283  0.702  1.0
  O  O19  1  0.918  0.283  0.502  1.0
[/CIF]
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The material structure described by Y(BO2)3 crystallizes in the monoclinic C2/c space group. Y(1) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three 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 two equivalent Y(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Y(1) and one B(2) atom. is represented by the CIF file [CIF]
data_Y(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.273
_cell_length_b   6.273
_cell_length_c   6.141
_cell_angle_alpha   63.062
_cell_angle_beta   63.062
_cell_angle_gamma   79.772
_symmetry_Int_Tables_number   1
_cell_volume   191.940
_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  0.708  0.292  0.250  1.0
  Y  Y1  1  0.292  0.708  0.750  1.0
  B  B2  1  0.277  0.723  0.250  1.0
  B  B3  1  0.165  0.291  0.406  1.0
  B  B4  1  0.291  0.165  0.906  1.0
  B  B5  1  0.709  0.835  0.094  1.0
  B  B6  1  0.835  0.709  0.594  1.0
  B  B7  1  0.723  0.277  0.750  1.0
  O  O8  1  0.082  0.717  0.498  1.0
  O  O9  1  0.489  0.717  0.298  1.0
  O  O10  1  0.300  0.112  0.487  1.0
  O  O11  1  0.112  0.300  0.987  1.0
  O  O12  1  0.283  0.511  0.202  1.0
  O  O13  1  0.283  0.918  0.002  1.0
  O  O14  1  0.717  0.082  0.998  1.0
  O  O15  1  0.717  0.489  0.798  1.0
  O  O16  1  0.888  0.700  0.013  1.0
  O  O17  1  0.700  0.888  0.513  1.0
  O  O18  1  0.511  0.283  0.702  1.0
  O  O19  1  0.918  0.283  0.502  1.0
[/CIF]
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