The structure described by LaBN2 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one N(3), two equivalent N(1), two equivalent N(2), two equivalent N(4), and two equivalent N(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one N(2), one N(5), two equivalent N(3), two equivalent N(4), and two equivalent N(6) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one N(2), one N(3), and one N(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(6) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one La(3), two equivalent La(1), one B(2), and one B(3) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one La(2), one La(3), two equivalent La(1), one B(1), and one B(2) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one La(1), one La(3), two equivalent La(2), and one B(1) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one La(3), two equivalent La(1), two equivalent La(2), and one B(3) atom. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one La(2), one La(3), two equivalent La(1), and one B(2) atom. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one La(3), two equivalent La(2), one B(1), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.617
_cell_length_b   6.913
_cell_length_c   7.812
_cell_angle_alpha   105.949
_cell_angle_beta   90.604
_cell_angle_gamma   115.864
_symmetry_Int_Tables_number   1
_cell_volume   305.601
_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
  La  La0  1  0.539  0.785  0.062  1.0
  La  La1  1  0.461  0.215  0.938  1.0
  La  La2  1  0.468  0.218  0.422  1.0
  La  La3  1  0.532  0.782  0.578  1.0
  La  La4  1  0.943  0.665  0.298  1.0
  La  La5  1  0.057  0.335  0.702  1.0
  B  B6  1  0.899  0.210  0.327  1.0
  B  B7  1  0.101  0.778  0.986  1.0
  B  B8  1  0.899  0.222  0.014  1.0
  B  B9  1  0.101  0.790  0.673  1.0
  B  B10  1  0.266  0.419  0.226  1.0
  B  B11  1  0.734  0.581  0.774  1.0
  N  N12  1  0.146  0.360  0.044  1.0
  N  N13  1  0.854  0.640  0.956  1.0
  N  N14  1  0.227  0.784  0.828  1.0
  N  N15  1  0.767  0.053  0.421  1.0
  N  N16  1  0.233  0.947  0.579  1.0
  N  N17  1  0.773  0.216  0.172  1.0
  N  N18  1  0.488  0.483  0.749  1.0
  N  N19  1  0.512  0.517  0.251  1.0
  N  N20  1  0.762  0.090  0.840  1.0
  N  N21  1  0.238  0.910  0.160  1.0
  N  N22  1  0.144  0.369  0.379  1.0
  N  N23  1  0.856  0.631  0.621  1.0
[/CIF]
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The structure described by LaBN2 crystallizes in the triclinic P-1 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 9-coordinate geometry to one N(3), two equivalent N(1), two equivalent N(2), two equivalent N(4), and two equivalent N(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one N(2), one N(5), two equivalent N(3), two equivalent N(4), and two equivalent N(6) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one N(1), one N(2), one N(3), one N(4), one N(5), and one N(6) atom. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one N(2), one N(3), and one N(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(5) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one N(1), one N(4), and one N(6) atom. There are six inequivalent N sites. In the first N site, N(1) is bonded in a distorted bent 120 degrees geometry to one La(3), two equivalent La(1), one B(2), and one B(3) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one La(2), one La(3), two equivalent La(1), one B(1), and one B(2) atom. In the third N site, N(3) is bonded in a 1-coordinate geometry to one La(1), one La(3), two equivalent La(2), and one B(1) atom. In the fourth N site, N(4) is bonded in a distorted single-bond geometry to one La(3), two equivalent La(1), two equivalent La(2), and one B(3) atom. In the fifth N site, N(5) is bonded in a 1-coordinate geometry to one La(2), one La(3), two equivalent La(1), and one B(2) atom. In the sixth N site, N(6) is bonded in a distorted bent 120 degrees geometry to one La(3), two equivalent La(2), one B(1), and one B(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaBN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.617
_cell_length_b   6.913
_cell_length_c   7.812
_cell_angle_alpha   105.949
_cell_angle_beta   90.604
_cell_angle_gamma   115.864
_symmetry_Int_Tables_number   1
_cell_volume   305.601
_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
  La  La0  1  0.539  0.785  0.062  1.0
  La  La1  1  0.461  0.215  0.938  1.0
  La  La2  1  0.468  0.218  0.422  1.0
  La  La3  1  0.532  0.782  0.578  1.0
  La  La4  1  0.943  0.665  0.298  1.0
  La  La5  1  0.057  0.335  0.702  1.0
  B  B6  1  0.899  0.210  0.327  1.0
  B  B7  1  0.101  0.778  0.986  1.0
  B  B8  1  0.899  0.222  0.014  1.0
  B  B9  1  0.101  0.790  0.673  1.0
  B  B10  1  0.266  0.419  0.226  1.0
  B  B11  1  0.734  0.581  0.774  1.0
  N  N12  1  0.146  0.360  0.044  1.0
  N  N13  1  0.854  0.640  0.956  1.0
  N  N14  1  0.227  0.784  0.828  1.0
  N  N15  1  0.767  0.053  0.421  1.0
  N  N16  1  0.233  0.947  0.579  1.0
  N  N17  1  0.773  0.216  0.172  1.0
  N  N18  1  0.488  0.483  0.749  1.0
  N  N19  1  0.512  0.517  0.251  1.0
  N  N20  1  0.762  0.090  0.840  1.0
  N  N21  1  0.238  0.910  0.160  1.0
  N  N22  1  0.144  0.369  0.379  1.0
  N  N23  1  0.856  0.631  0.621  1.0
[/CIF]
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