The material structure described by YbBO3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Yb site, Yb(2) is bonded in a distorted octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Yb(2), two equivalent Yb(1), and one B(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_YbBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.649
_cell_length_b   6.649
_cell_length_c   9.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   347.727
_cell_formula_units_Z   6
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
  Yb  Yb0  1  0.667  0.333  0.500  1.0
  Yb  Yb1  1  0.667  0.333  0.000  1.0
  Yb  Yb2  1  0.333  0.667  0.500  1.0
  Yb  Yb3  1  0.333  0.667  0.000  1.0
  Yb  Yb4  1  0.000  0.000  0.500  1.0
  Yb  Yb5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.000  0.608  0.750  1.0
  B  B7  1  0.392  0.392  0.750  1.0
  B  B8  1  0.608  0.000  0.750  1.0
  B  B9  1  0.608  0.608  0.250  1.0
  B  B10  1  0.392  0.000  0.250  1.0
  B  B11  1  0.000  0.392  0.250  1.0
  O  O12  1  0.317  0.317  0.891  1.0
  O  O13  1  0.000  0.683  0.891  1.0
  O  O14  1  0.317  0.317  0.609  1.0
  O  O15  1  0.000  0.683  0.609  1.0
  O  O16  1  0.000  0.317  0.391  1.0
  O  O17  1  0.683  0.000  0.609  1.0
  O  O18  1  0.000  0.599  0.250  1.0
  O  O19  1  0.599  0.000  0.250  1.0
  O  O20  1  0.401  0.401  0.250  1.0
  O  O21  1  0.401  0.000  0.750  1.0
  O  O22  1  0.599  0.599  0.750  1.0
  O  O23  1  0.000  0.401  0.750  1.0
  O  O24  1  0.000  0.317  0.109  1.0
  O  O25  1  0.317  0.000  0.391  1.0
  O  O26  1  0.683  0.683  0.391  1.0
  O  O27  1  0.683  0.683  0.109  1.0
  O  O28  1  0.317  0.000  0.109  1.0
  O  O29  1  0.683  0.000  0.891  1.0
[/CIF]
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The material structure described by YbBO3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Yb site, Yb(2) is bonded in a distorted octahedral geometry to six equivalent O(1) atoms. B(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Yb(2), two equivalent Yb(1), and one B(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_YbBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.649
_cell_length_b   6.649
_cell_length_c   9.083
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   347.727
_cell_formula_units_Z   6
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
  Yb  Yb0  1  0.667  0.333  0.500  1.0
  Yb  Yb1  1  0.667  0.333  0.000  1.0
  Yb  Yb2  1  0.333  0.667  0.500  1.0
  Yb  Yb3  1  0.333  0.667  0.000  1.0
  Yb  Yb4  1  0.000  0.000  0.500  1.0
  Yb  Yb5  1  0.000  0.000  0.000  1.0
  B  B6  1  0.000  0.608  0.750  1.0
  B  B7  1  0.392  0.392  0.750  1.0
  B  B8  1  0.608  0.000  0.750  1.0
  B  B9  1  0.608  0.608  0.250  1.0
  B  B10  1  0.392  0.000  0.250  1.0
  B  B11  1  0.000  0.392  0.250  1.0
  O  O12  1  0.317  0.317  0.891  1.0
  O  O13  1  0.000  0.683  0.891  1.0
  O  O14  1  0.317  0.317  0.609  1.0
  O  O15  1  0.000  0.683  0.609  1.0
  O  O16  1  0.000  0.317  0.391  1.0
  O  O17  1  0.683  0.000  0.609  1.0
  O  O18  1  0.000  0.599  0.250  1.0
  O  O19  1  0.599  0.000  0.250  1.0
  O  O20  1  0.401  0.401  0.250  1.0
  O  O21  1  0.401  0.000  0.750  1.0
  O  O22  1  0.599  0.599  0.750  1.0
  O  O23  1  0.000  0.401  0.750  1.0
  O  O24  1  0.000  0.317  0.109  1.0
  O  O25  1  0.317  0.000  0.391  1.0
  O  O26  1  0.683  0.683  0.391  1.0
  O  O27  1  0.683  0.683  0.109  1.0
  O  O28  1  0.317  0.000  0.109  1.0
  O  O29  1  0.683  0.000  0.891  1.0
[/CIF]
.