The compound described by La4B2N5 crystallizes in the monoclinic C2/m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent N(2), two equivalent N(3), and three equivalent N(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one N(3), two equivalent N(1), and three equivalent N(2) atoms. B(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent La(2), three equivalent La(1), and one B(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent La(1), three equivalent La(2), and one B(1) atom. In the third N site, N(3) is bonded to two equivalent La(2) and four equivalent La(1) atoms to form edge-sharing NLa6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4B2N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.580
_cell_length_b   6.580
_cell_length_c   9.172
_cell_angle_alpha   52.316
_cell_angle_beta   52.316
_cell_angle_gamma   32.467
_symmetry_Int_Tables_number   1
_cell_volume   164.370
_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  0.812  0.812  0.614  1.0
  La  La1  1  0.188  0.188  0.386  1.0
  La  La2  1  0.577  0.577  0.156  1.0
  La  La3  1  0.423  0.423  0.844  1.0
  B  B4  1  0.912  0.912  0.110  1.0
  B  B5  1  0.088  0.088  0.890  1.0
  N  N6  1  0.883  0.883  0.294  1.0
  N  N7  1  0.117  0.117  0.706  1.0
  N  N8  1  0.799  0.799  0.100  1.0
  N  N9  1  0.201  0.201  0.900  1.0
  N  N10  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by La4B2N5 crystallizes in the monoclinic C2/m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 7-coordinate geometry to two equivalent N(2), two equivalent N(3), and three equivalent N(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one N(3), two equivalent N(1), and three equivalent N(2) atoms. B(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 6-coordinate geometry to two equivalent La(2), three equivalent La(1), and one B(1) atom. In the second N site, N(2) is bonded in a distorted single-bond geometry to two equivalent La(1), three equivalent La(2), and one B(1) atom. In the third N site, N(3) is bonded to two equivalent La(2) and four equivalent La(1) atoms to form edge-sharing NLa6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La4B2N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.580
_cell_length_b   6.580
_cell_length_c   9.172
_cell_angle_alpha   52.316
_cell_angle_beta   52.316
_cell_angle_gamma   32.467
_symmetry_Int_Tables_number   1
_cell_volume   164.370
_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  0.812  0.812  0.614  1.0
  La  La1  1  0.188  0.188  0.386  1.0
  La  La2  1  0.577  0.577  0.156  1.0
  La  La3  1  0.423  0.423  0.844  1.0
  B  B4  1  0.912  0.912  0.110  1.0
  B  B5  1  0.088  0.088  0.890  1.0
  N  N6  1  0.883  0.883  0.294  1.0
  N  N7  1  0.117  0.117  0.706  1.0
  N  N8  1  0.799  0.799  0.100  1.0
  N  N9  1  0.201  0.201  0.900  1.0
  N  N10  1  0.500  0.500  0.500  1.0
[/CIF]
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