The crystal structure described by NdBN2 crystallizes in the trigonal R-3c space group. Nd(1) is bonded to two equivalent N(1) and five equivalent N(2) atoms to form a mixture of distorted corner, face, and edge-sharing NdN7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Nd(1) and two equivalent B(1) atoms. In the second N site, N(2) is bonded in a distorted single-bond geometry to five equivalent Nd(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.379
_cell_length_b   7.379
_cell_length_c   7.379
_cell_angle_alpha   110.627
_cell_angle_beta   110.627
_cell_angle_gamma   110.627
_symmetry_Int_Tables_number   1
_cell_volume   295.332
_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
  Nd  Nd0  1  0.704  0.250  0.796  1.0
  Nd  Nd1  1  0.796  0.704  0.250  1.0
  Nd  Nd2  1  0.250  0.796  0.704  1.0
  Nd  Nd3  1  0.296  0.750  0.204  1.0
  Nd  Nd4  1  0.204  0.296  0.750  1.0
  Nd  Nd5  1  0.750  0.204  0.296  1.0
  B  B6  1  0.869  0.631  0.750  1.0
  B  B7  1  0.750  0.869  0.631  1.0
  B  B8  1  0.631  0.750  0.869  1.0
  B  B9  1  0.250  0.131  0.369  1.0
  B  B10  1  0.369  0.250  0.131  1.0
  B  B11  1  0.131  0.369  0.250  1.0
  N  N12  1  0.750  0.628  0.872  1.0
  N  N13  1  0.872  0.750  0.628  1.0
  N  N14  1  0.628  0.872  0.750  1.0
  N  N15  1  0.372  0.128  0.250  1.0
  N  N16  1  0.250  0.372  0.128  1.0
  N  N17  1  0.128  0.250  0.372  1.0
  N  N18  1  0.750  0.991  0.509  1.0
  N  N19  1  0.509  0.750  0.991  1.0
  N  N20  1  0.991  0.509  0.750  1.0
  N  N21  1  0.009  0.491  0.250  1.0
  N  N22  1  0.250  0.009  0.491  1.0
  N  N23  1  0.491  0.250  0.009  1.0
[/CIF]
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The crystal structure described by NdBN2 crystallizes in the trigonal R-3c space group. Nd(1) is bonded to two equivalent N(1) and five equivalent N(2) atoms to form a mixture of distorted corner, face, and edge-sharing NdN7 pentagonal bipyramids. B(1) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Nd(1) and two equivalent B(1) atoms. In the second N site, N(2) is bonded in a distorted single-bond geometry to five equivalent Nd(1) and one B(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.379
_cell_length_b   7.379
_cell_length_c   7.379
_cell_angle_alpha   110.627
_cell_angle_beta   110.627
_cell_angle_gamma   110.627
_symmetry_Int_Tables_number   1
_cell_volume   295.332
_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
  Nd  Nd0  1  0.704  0.250  0.796  1.0
  Nd  Nd1  1  0.796  0.704  0.250  1.0
  Nd  Nd2  1  0.250  0.796  0.704  1.0
  Nd  Nd3  1  0.296  0.750  0.204  1.0
  Nd  Nd4  1  0.204  0.296  0.750  1.0
  Nd  Nd5  1  0.750  0.204  0.296  1.0
  B  B6  1  0.869  0.631  0.750  1.0
  B  B7  1  0.750  0.869  0.631  1.0
  B  B8  1  0.631  0.750  0.869  1.0
  B  B9  1  0.250  0.131  0.369  1.0
  B  B10  1  0.369  0.250  0.131  1.0
  B  B11  1  0.131  0.369  0.250  1.0
  N  N12  1  0.750  0.628  0.872  1.0
  N  N13  1  0.872  0.750  0.628  1.0
  N  N14  1  0.628  0.872  0.750  1.0
  N  N15  1  0.372  0.128  0.250  1.0
  N  N16  1  0.250  0.372  0.128  1.0
  N  N17  1  0.128  0.250  0.372  1.0
  N  N18  1  0.750  0.991  0.509  1.0
  N  N19  1  0.509  0.750  0.991  1.0
  N  N20  1  0.991  0.509  0.750  1.0
  N  N21  1  0.009  0.491  0.250  1.0
  N  N22  1  0.250  0.009  0.491  1.0
  N  N23  1  0.491  0.250  0.009  1.0
[/CIF]
.