The material described by GdB3O6 crystallizes in the monoclinic C2/c space group. Gd(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four 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(2), and one O(3) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Gd(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Gd(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 Gd(1) and one B(1) atom. is represented by the CIF file [CIF]
data_Gd(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.211
_cell_length_b   6.270
_cell_length_c   6.270
_cell_angle_alpha   79.486
_cell_angle_beta   63.053
_cell_angle_gamma   63.053
_symmetry_Int_Tables_number   1
_cell_volume   193.944
_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
  Gd  Gd0  1  0.750  0.202  0.298  1.0
  Gd  Gd1  1  0.250  0.798  0.702  1.0
  B  B2  1  0.911  0.660  0.289  1.0
  B  B3  1  0.589  0.211  0.840  1.0
  B  B4  1  0.750  0.780  0.720  1.0
  B  B5  1  0.250  0.220  0.280  1.0
  B  B6  1  0.089  0.340  0.711  1.0
  B  B7  1  0.411  0.789  0.160  1.0
  O  O8  1  0.707  0.785  0.505  1.0
  O  O9  1  0.996  0.586  0.712  1.0
  O  O10  1  0.504  0.788  0.914  1.0
  O  O11  1  0.004  0.414  0.288  1.0
  O  O12  1  0.495  0.608  0.292  1.0
  O  O13  1  0.005  0.208  0.892  1.0
  O  O14  1  0.505  0.392  0.708  1.0
  O  O15  1  0.995  0.792  0.108  1.0
  O  O16  1  0.293  0.215  0.495  1.0
  O  O17  1  0.207  0.005  0.285  1.0
  O  O18  1  0.496  0.212  0.086  1.0
  O  O19  1  0.793  0.995  0.715  1.0
[/CIF]
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The material described by GdB3O6 crystallizes in the monoclinic C2/c space group. Gd(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four 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(2), and one O(3) atom. In the second B site, B(2) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Gd(1), one B(1), and one B(2) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Gd(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 Gd(1) and one B(1) atom. is represented by the CIF file [CIF]
data_Gd(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.211
_cell_length_b   6.270
_cell_length_c   6.270
_cell_angle_alpha   79.486
_cell_angle_beta   63.053
_cell_angle_gamma   63.053
_symmetry_Int_Tables_number   1
_cell_volume   193.944
_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
  Gd  Gd0  1  0.750  0.202  0.298  1.0
  Gd  Gd1  1  0.250  0.798  0.702  1.0
  B  B2  1  0.911  0.660  0.289  1.0
  B  B3  1  0.589  0.211  0.840  1.0
  B  B4  1  0.750  0.780  0.720  1.0
  B  B5  1  0.250  0.220  0.280  1.0
  B  B6  1  0.089  0.340  0.711  1.0
  B  B7  1  0.411  0.789  0.160  1.0
  O  O8  1  0.707  0.785  0.505  1.0
  O  O9  1  0.996  0.586  0.712  1.0
  O  O10  1  0.504  0.788  0.914  1.0
  O  O11  1  0.004  0.414  0.288  1.0
  O  O12  1  0.495  0.608  0.292  1.0
  O  O13  1  0.005  0.208  0.892  1.0
  O  O14  1  0.505  0.392  0.708  1.0
  O  O15  1  0.995  0.792  0.108  1.0
  O  O16  1  0.293  0.215  0.495  1.0
  O  O17  1  0.207  0.005  0.285  1.0
  O  O18  1  0.496  0.212  0.086  1.0
  O  O19  1  0.793  0.995  0.715  1.0
[/CIF]
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