The crystal structure described by LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 12-coordinate geometry to four equivalent N(2) and eight equivalent N(1) atoms. W(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles range from 17-19°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to four equivalent La(1) and two equivalent W(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_LaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   5.693
_cell_length_c   8.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.592
_cell_formula_units_Z   4
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  0.018  0.998  0.250  1.0
  La  La1  1  0.982  0.002  0.750  1.0
  La  La2  1  0.518  0.502  0.250  1.0
  La  La3  1  0.482  0.498  0.750  1.0
  W  W4  1  0.500  0.000  0.000  1.0
  W  W5  1  0.000  0.500  0.500  1.0
  W  W6  1  0.000  0.500  0.000  1.0
  W  W7  1  0.500  0.000  0.500  1.0
  N  N8  1  0.727  0.271  0.970  1.0
  N  N9  1  0.773  0.771  0.470  1.0
  N  N10  1  0.773  0.771  0.030  1.0
  N  N11  1  0.727  0.271  0.530  1.0
  N  N12  1  0.227  0.229  0.970  1.0
  N  N13  1  0.273  0.729  0.470  1.0
  N  N14  1  0.005  0.559  0.750  1.0
  N  N15  1  0.995  0.441  0.250  1.0
  N  N16  1  0.495  0.059  0.250  1.0
  N  N17  1  0.273  0.729  0.030  1.0
  N  N18  1  0.227  0.229  0.530  1.0
  N  N19  1  0.505  0.941  0.750  1.0
[/CIF]
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The crystal structure described by LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 12-coordinate geometry to four equivalent N(2) and eight equivalent N(1) atoms. W(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles range from 17-19°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 5-coordinate geometry to four equivalent La(1) and two equivalent W(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent W(1) atoms. is represented by the CIF card [CIF]
data_LaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.655
_cell_length_b   5.693
_cell_length_c   8.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.592
_cell_formula_units_Z   4
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  0.018  0.998  0.250  1.0
  La  La1  1  0.982  0.002  0.750  1.0
  La  La2  1  0.518  0.502  0.250  1.0
  La  La3  1  0.482  0.498  0.750  1.0
  W  W4  1  0.500  0.000  0.000  1.0
  W  W5  1  0.000  0.500  0.500  1.0
  W  W6  1  0.000  0.500  0.000  1.0
  W  W7  1  0.500  0.000  0.500  1.0
  N  N8  1  0.727  0.271  0.970  1.0
  N  N9  1  0.773  0.771  0.470  1.0
  N  N10  1  0.773  0.771  0.030  1.0
  N  N11  1  0.727  0.271  0.530  1.0
  N  N12  1  0.227  0.229  0.970  1.0
  N  N13  1  0.273  0.729  0.470  1.0
  N  N14  1  0.005  0.559  0.750  1.0
  N  N15  1  0.995  0.441  0.250  1.0
  N  N16  1  0.495  0.059  0.250  1.0
  N  N17  1  0.273  0.729  0.030  1.0
  N  N18  1  0.227  0.229  0.530  1.0
  N  N19  1  0.505  0.941  0.750  1.0
[/CIF]
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