The material described by LaN3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to one N(4), one N(5), two equivalent N(3), and two equivalent N(6) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one N(2), one N(3), one N(6), two equivalent N(1), and two equivalent N(5) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent La(2), one N(5), and one N(6) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one La(2) and one N(4) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one La(2) and two equivalent La(1) atoms. In the fourth N site, N(4) is bonded in a distorted water-like geometry to one La(1) and one N(2) atom. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one La(1), two equivalent La(2), and one N(1) atom. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one N(1) atom. is represented by the CIF card [CIF]
data_LaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.235
_cell_length_b   7.401
_cell_length_c   8.711
_cell_angle_alpha   65.535
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.551
_cell_formula_units_Z   8
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  0.339  0.415  0.068  1.0
  La  La1  1  0.839  0.585  0.432  1.0
  La  La2  1  0.661  0.585  0.932  1.0
  La  La3  1  0.161  0.415  0.568  1.0
  La  La4  1  0.562  0.990  0.288  1.0
  La  La5  1  0.062  0.010  0.212  1.0
  La  La6  1  0.438  0.010  0.712  1.0
  La  La7  1  0.938  0.990  0.788  1.0
  N  N8  1  0.851  0.891  0.096  1.0
  N  N9  1  0.351  0.109  0.404  1.0
  N  N10  1  0.149  0.109  0.904  1.0
  N  N11  1  0.649  0.891  0.596  1.0
  N  N12  1  0.522  0.593  0.309  1.0
  N  N13  1  0.022  0.407  0.191  1.0
  N  N14  1  0.478  0.407  0.691  1.0
  N  N15  1  0.978  0.593  0.809  1.0
  N  N16  1  0.043  0.710  0.416  1.0
  N  N17  1  0.543  0.290  0.084  1.0
  N  N18  1  0.957  0.290  0.584  1.0
  N  N19  1  0.457  0.710  0.916  1.0
  N  N20  1  0.086  0.540  0.167  1.0
  N  N21  1  0.586  0.460  0.333  1.0
  N  N22  1  0.914  0.460  0.833  1.0
  N  N23  1  0.414  0.540  0.667  1.0
  N  N24  1  0.810  0.957  0.206  1.0
  N  N25  1  0.310  0.043  0.294  1.0
  N  N26  1  0.190  0.043  0.794  1.0
  N  N27  1  0.690  0.957  0.706  1.0
  N  N28  1  0.801  0.740  0.076  1.0
  N  N29  1  0.301  0.260  0.424  1.0
  N  N30  1  0.199  0.260  0.924  1.0
  N  N31  1  0.699  0.740  0.576  1.0
[/CIF]
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The material described by LaN3 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 3-coordinate geometry to one N(4), one N(5), two equivalent N(3), and two equivalent N(6) atoms. In the second La site, La(2) is bonded in a 7-coordinate geometry to one N(2), one N(3), one N(6), two equivalent N(1), and two equivalent N(5) atoms. There are six inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent La(2), one N(5), and one N(6) atom. In the second N site, N(2) is bonded in a distorted bent 150 degrees geometry to one La(2) and one N(4) atom. In the third N site, N(3) is bonded in a distorted trigonal non-coplanar geometry to one La(2) and two equivalent La(1) atoms. In the fourth N site, N(4) is bonded in a distorted water-like geometry to one La(1) and one N(2) atom. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one La(1), two equivalent La(2), and one N(1) atom. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), and one N(1) atom. is represented by the CIF card [CIF]
data_LaN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.235
_cell_length_b   7.401
_cell_length_c   8.711
_cell_angle_alpha   65.535
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.551
_cell_formula_units_Z   8
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  0.339  0.415  0.068  1.0
  La  La1  1  0.839  0.585  0.432  1.0
  La  La2  1  0.661  0.585  0.932  1.0
  La  La3  1  0.161  0.415  0.568  1.0
  La  La4  1  0.562  0.990  0.288  1.0
  La  La5  1  0.062  0.010  0.212  1.0
  La  La6  1  0.438  0.010  0.712  1.0
  La  La7  1  0.938  0.990  0.788  1.0
  N  N8  1  0.851  0.891  0.096  1.0
  N  N9  1  0.351  0.109  0.404  1.0
  N  N10  1  0.149  0.109  0.904  1.0
  N  N11  1  0.649  0.891  0.596  1.0
  N  N12  1  0.522  0.593  0.309  1.0
  N  N13  1  0.022  0.407  0.191  1.0
  N  N14  1  0.478  0.407  0.691  1.0
  N  N15  1  0.978  0.593  0.809  1.0
  N  N16  1  0.043  0.710  0.416  1.0
  N  N17  1  0.543  0.290  0.084  1.0
  N  N18  1  0.957  0.290  0.584  1.0
  N  N19  1  0.457  0.710  0.916  1.0
  N  N20  1  0.086  0.540  0.167  1.0
  N  N21  1  0.586  0.460  0.333  1.0
  N  N22  1  0.914  0.460  0.833  1.0
  N  N23  1  0.414  0.540  0.667  1.0
  N  N24  1  0.810  0.957  0.206  1.0
  N  N25  1  0.310  0.043  0.294  1.0
  N  N26  1  0.190  0.043  0.794  1.0
  N  N27  1  0.690  0.957  0.706  1.0
  N  N28  1  0.801  0.740  0.076  1.0
  N  N29  1  0.301  0.260  0.424  1.0
  N  N30  1  0.199  0.260  0.924  1.0
  N  N31  1  0.699  0.740  0.576  1.0
[/CIF]
.