The crystal structure described by Nd(BO2)3 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) 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 distorted single-bond geometry to two equivalent Nd(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 Nd(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(1), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Nd(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.353
_cell_length_c   6.350
_cell_angle_alpha   62.793
_cell_angle_beta   62.793
_cell_angle_gamma   79.269
_symmetry_Int_Tables_number   1
_cell_volume   202.627
_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
  Nd  Nd0  1  0.698  0.302  0.250  1.0
  Nd  Nd1  1  0.302  0.698  0.750  1.0
  B  B2  1  0.721  0.279  0.750  1.0
  B  B3  1  0.709  0.842  0.084  1.0
  B  B4  1  0.158  0.291  0.416  1.0
  B  B5  1  0.279  0.721  0.250  1.0
  B  B6  1  0.842  0.709  0.584  1.0
  B  B7  1  0.291  0.158  0.916  1.0
  O  O8  1  0.889  0.711  0.002  1.0
  O  O9  1  0.289  0.111  0.498  1.0
  O  O10  1  0.494  0.717  0.288  1.0
  O  O11  1  0.283  0.506  0.212  1.0
  O  O12  1  0.506  0.283  0.712  1.0
  O  O13  1  0.717  0.494  0.788  1.0
  O  O14  1  0.086  0.710  0.493  1.0
  O  O15  1  0.290  0.914  0.007  1.0
  O  O16  1  0.914  0.290  0.507  1.0
  O  O17  1  0.710  0.086  0.993  1.0
  O  O18  1  0.711  0.889  0.502  1.0
  O  O19  1  0.111  0.289  0.998  1.0
[/CIF]
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The crystal structure described by Nd(BO2)3 crystallizes in the monoclinic C2/c space group. Nd(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a tetrahedral geometry to two equivalent O(2) and two equivalent O(3) 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 distorted single-bond geometry to two equivalent Nd(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 Nd(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Nd(1), one B(1), and one B(2) atom. is represented by the CIF card [CIF]
data_Nd(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.353
_cell_length_b   6.353
_cell_length_c   6.350
_cell_angle_alpha   62.793
_cell_angle_beta   62.793
_cell_angle_gamma   79.269
_symmetry_Int_Tables_number   1
_cell_volume   202.627
_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
  Nd  Nd0  1  0.698  0.302  0.250  1.0
  Nd  Nd1  1  0.302  0.698  0.750  1.0
  B  B2  1  0.721  0.279  0.750  1.0
  B  B3  1  0.709  0.842  0.084  1.0
  B  B4  1  0.158  0.291  0.416  1.0
  B  B5  1  0.279  0.721  0.250  1.0
  B  B6  1  0.842  0.709  0.584  1.0
  B  B7  1  0.291  0.158  0.916  1.0
  O  O8  1  0.889  0.711  0.002  1.0
  O  O9  1  0.289  0.111  0.498  1.0
  O  O10  1  0.494  0.717  0.288  1.0
  O  O11  1  0.283  0.506  0.212  1.0
  O  O12  1  0.506  0.283  0.712  1.0
  O  O13  1  0.717  0.494  0.788  1.0
  O  O14  1  0.086  0.710  0.493  1.0
  O  O15  1  0.290  0.914  0.007  1.0
  O  O16  1  0.914  0.290  0.507  1.0
  O  O17  1  0.710  0.086  0.993  1.0
  O  O18  1  0.711  0.889  0.502  1.0
  O  O19  1  0.111  0.289  0.998  1.0
[/CIF]
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