The crystal structure described by La3(B2N4) crystallizes in the orthorhombic Immm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to six equivalent N(1) atoms. In the second La site, La(2) is bonded in a distorted body-centered cubic geometry to eight equivalent N(1) atoms. B(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to two equivalent La(2), three equivalent La(1), and one B(1) atom. is represented by the CIF file [CIF]
data_La3(BN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.629
_cell_length_b   6.413
_cell_length_c   6.620
_cell_angle_alpha   118.971
_cell_angle_beta   105.918
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   128.017
_cell_formula_units_Z   1
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
  La  La0  1  0.201  0.701  0.402  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.799  0.299  0.598  1.0
  B  B3  1  0.500  0.358  0.000  1.0
  B  B4  1  0.500  0.642  1.000  1.0
  N  N5  1  0.617  0.363  0.235  1.0
  N  N6  1  0.383  0.128  0.765  1.0
  N  N7  1  0.383  0.637  0.765  1.0
  N  N8  1  0.617  0.872  0.235  1.0
[/CIF]
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The crystal structure described by La3(B2N4) crystallizes in the orthorhombic Immm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to six equivalent N(1) atoms. In the second La site, La(2) is bonded in a distorted body-centered cubic geometry to eight equivalent N(1) atoms. B(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a distorted single-bond geometry to two equivalent La(2), three equivalent La(1), and one B(1) atom. is represented by the CIF file [CIF]
data_La3(BN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.629
_cell_length_b   6.413
_cell_length_c   6.620
_cell_angle_alpha   118.971
_cell_angle_beta   105.918
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   128.017
_cell_formula_units_Z   1
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
  La  La0  1  0.201  0.701  0.402  1.0
  La  La1  1  0.000  0.000  0.000  1.0
  La  La2  1  0.799  0.299  0.598  1.0
  B  B3  1  0.500  0.358  0.000  1.0
  B  B4  1  0.500  0.642  1.000  1.0
  N  N5  1  0.617  0.363  0.235  1.0
  N  N6  1  0.383  0.128  0.765  1.0
  N  N7  1  0.383  0.637  0.765  1.0
  N  N8  1  0.617  0.872  0.235  1.0
[/CIF]
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