The crystal structure described by LaWN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent N(2) and four equivalent N(3) atoms to form LaN6 octahedra that share corners with six equivalent W(1)N4 tetrahedra and edges with two equivalent La(1)N6 octahedra. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(3), and four equivalent N(1) atoms. W(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form WN4 tetrahedra that share corners with three equivalent La(1)N6 octahedra and corners with two equivalent W(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-69°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent W(1) atoms. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one W(1) atom. In the third N site, N(3) is bonded to one La(2), two equivalent La(1), and one W(1) atom to form a mixture of distorted corner and edge-sharing NLa3W tetrahedra. is represented by the CIF file [CIF]
data_LaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.434
_cell_length_b   7.434
_cell_length_c   6.349
_cell_angle_alpha   76.740
_cell_angle_beta   76.737
_cell_angle_gamma   85.965
_symmetry_Int_Tables_number   1
_cell_volume   332.330
_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  0.094  0.906  0.250  1.0
  La  La1  1  0.309  0.691  0.750  1.0
  La  La2  1  0.691  0.309  0.250  1.0
  La  La3  1  0.906  0.094  0.750  1.0
  W  W4  1  0.620  0.798  0.249  1.0
  W  W5  1  0.202  0.380  0.251  1.0
  W  W6  1  0.380  0.202  0.751  1.0
  W  W7  1  0.798  0.620  0.749  1.0
  N  N8  1  0.328  0.368  0.492  1.0
  N  N9  1  0.390  0.875  0.355  1.0
  N  N10  1  0.003  0.226  0.345  1.0
  N  N11  1  0.875  0.390  0.855  1.0
  N  N12  1  0.610  0.125  0.645  1.0
  N  N13  1  0.774  0.997  0.155  1.0
  N  N14  1  0.225  0.003  0.845  1.0
  N  N15  1  0.632  0.671  0.008  1.0
  N  N16  1  0.368  0.329  0.992  1.0
  N  N17  1  0.672  0.632  0.508  1.0
  N  N18  1  0.125  0.610  0.145  1.0
  N  N19  1  0.997  0.774  0.655  1.0
[/CIF]
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The crystal structure described by LaWN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent N(2) and four equivalent N(3) atoms to form LaN6 octahedra that share corners with six equivalent W(1)N4 tetrahedra and edges with two equivalent La(1)N6 octahedra. In the second La site, La(2) is bonded in a 8-coordinate geometry to two equivalent N(2), two equivalent N(3), and four equivalent N(1) atoms. W(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form WN4 tetrahedra that share corners with three equivalent La(1)N6 octahedra and corners with two equivalent W(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 42-69°. There are three inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to two equivalent La(2) and two equivalent W(1) atoms. In the second N site, N(2) is bonded in a distorted trigonal non-coplanar geometry to one La(1), one La(2), and one W(1) atom. In the third N site, N(3) is bonded to one La(2), two equivalent La(1), and one W(1) atom to form a mixture of distorted corner and edge-sharing NLa3W tetrahedra. is represented by the CIF file [CIF]
data_LaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.434
_cell_length_b   7.434
_cell_length_c   6.349
_cell_angle_alpha   76.740
_cell_angle_beta   76.737
_cell_angle_gamma   85.965
_symmetry_Int_Tables_number   1
_cell_volume   332.330
_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  0.094  0.906  0.250  1.0
  La  La1  1  0.309  0.691  0.750  1.0
  La  La2  1  0.691  0.309  0.250  1.0
  La  La3  1  0.906  0.094  0.750  1.0
  W  W4  1  0.620  0.798  0.249  1.0
  W  W5  1  0.202  0.380  0.251  1.0
  W  W6  1  0.380  0.202  0.751  1.0
  W  W7  1  0.798  0.620  0.749  1.0
  N  N8  1  0.328  0.368  0.492  1.0
  N  N9  1  0.390  0.875  0.355  1.0
  N  N10  1  0.003  0.226  0.345  1.0
  N  N11  1  0.875  0.390  0.855  1.0
  N  N12  1  0.610  0.125  0.645  1.0
  N  N13  1  0.774  0.997  0.155  1.0
  N  N14  1  0.225  0.003  0.845  1.0
  N  N15  1  0.632  0.671  0.008  1.0
  N  N16  1  0.368  0.329  0.992  1.0
  N  N17  1  0.672  0.632  0.508  1.0
  N  N18  1  0.125  0.610  0.145  1.0
  N  N19  1  0.997  0.774  0.655  1.0
[/CIF]
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