The compound described by GdBO3 crystallizes in the trigonal R32 space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing BO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Gd(1) and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_GdBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.129
_cell_length_c   6.129
_cell_angle_alpha   62.988
_cell_angle_beta   62.988
_cell_angle_gamma   62.988
_symmetry_Int_Tables_number   1
_cell_volume   173.622
_cell_formula_units_Z   3
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
  Gd  Gd0  1  0.168  0.500  0.832  1.0
  Gd  Gd1  1  0.832  0.168  0.500  1.0
  Gd  Gd2  1  0.500  0.832  0.168  1.0
  B  B3  1  0.757  0.243  0.000  1.0
  B  B4  1  0.000  0.757  0.243  1.0
  B  B5  1  0.243  0.000  0.757  1.0
  O  O6  1  0.269  0.913  0.559  1.0
  O  O7  1  0.913  0.559  0.269  1.0
  O  O8  1  0.559  0.269  0.913  1.0
  O  O9  1  0.441  0.087  0.731  1.0
  O  O10  1  0.087  0.731  0.441  1.0
  O  O11  1  0.731  0.441  0.087  1.0
  O  O12  1  0.000  0.224  0.776  1.0
  O  O13  1  0.224  0.776  0.000  1.0
  O  O14  1  0.776  0.000  0.224  1.0
[/CIF]
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The compound described by GdBO3 crystallizes in the trigonal R32 space group. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(2) and six equivalent O(1) atoms. B(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form corner-sharing BO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to three equivalent Gd(1) and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Gd(1) and two equivalent B(1) atoms. is represented by the CIF card [CIF]
data_GdBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.129
_cell_length_b   6.129
_cell_length_c   6.129
_cell_angle_alpha   62.988
_cell_angle_beta   62.988
_cell_angle_gamma   62.988
_symmetry_Int_Tables_number   1
_cell_volume   173.622
_cell_formula_units_Z   3
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
  Gd  Gd0  1  0.168  0.500  0.832  1.0
  Gd  Gd1  1  0.832  0.168  0.500  1.0
  Gd  Gd2  1  0.500  0.832  0.168  1.0
  B  B3  1  0.757  0.243  0.000  1.0
  B  B4  1  0.000  0.757  0.243  1.0
  B  B5  1  0.243  0.000  0.757  1.0
  O  O6  1  0.269  0.913  0.559  1.0
  O  O7  1  0.913  0.559  0.269  1.0
  O  O8  1  0.559  0.269  0.913  1.0
  O  O9  1  0.441  0.087  0.731  1.0
  O  O10  1  0.087  0.731  0.441  1.0
  O  O11  1  0.731  0.441  0.087  1.0
  O  O12  1  0.000  0.224  0.776  1.0
  O  O13  1  0.224  0.776  0.000  1.0
  O  O14  1  0.776  0.000  0.224  1.0
[/CIF]
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