The material described by LaWN3 crystallizes in the monoclinic P2_1/m space group. La(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(3), and three equivalent N(1) atoms. W(1) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to three equivalent La(1) and one W(1) atom to form NLa3W tetrahedra that share corners with two equivalent N(1)La3W tetrahedra, corners with two equivalent N(2)LaW3 tetrahedra, edges with two equivalent N(1)La3W tetrahedra, and edges with two equivalent N(2)LaW3 tetrahedra. In the second N site, N(2) is bonded to one La(1) and three equivalent W(1) atoms to form distorted NLaW3 tetrahedra that share corners with two equivalent N(1)La3W tetrahedra, corners with two equivalent N(2)LaW3 tetrahedra, edges with two equivalent N(1)La3W tetrahedra, and edges with two equivalent N(2)LaW3 tetrahedra. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   5.851
_cell_length_c   7.958
_cell_angle_alpha   70.585
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.604
_cell_formula_units_Z   2
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  0.250  0.246  0.813  1.0
  La  La1  1  0.750  0.754  0.187  1.0
  W  W2  1  0.250  0.142  0.332  1.0
  W  W3  1  0.750  0.858  0.668  1.0
  N  N4  1  0.250  0.040  0.135  1.0
  N  N5  1  0.750  0.960  0.865  1.0
  N  N6  1  0.250  0.972  0.609  1.0
  N  N7  1  0.750  0.028  0.391  1.0
  N  N8  1  0.250  0.467  0.262  1.0
  N  N9  1  0.750  0.533  0.738  1.0
[/CIF]
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The material described by LaWN3 crystallizes in the monoclinic P2_1/m space group. La(1) is bonded in a 6-coordinate geometry to one N(2), two equivalent N(3), and three equivalent N(1) atoms. W(1) is bonded to one N(1), one N(3), and three equivalent N(2) atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are three inequivalent N sites. In the first N site, N(1) is bonded to three equivalent La(1) and one W(1) atom to form NLa3W tetrahedra that share corners with two equivalent N(1)La3W tetrahedra, corners with two equivalent N(2)LaW3 tetrahedra, edges with two equivalent N(1)La3W tetrahedra, and edges with two equivalent N(2)LaW3 tetrahedra. In the second N site, N(2) is bonded to one La(1) and three equivalent W(1) atoms to form distorted NLaW3 tetrahedra that share corners with two equivalent N(1)La3W tetrahedra, corners with two equivalent N(2)LaW3 tetrahedra, edges with two equivalent N(1)La3W tetrahedra, and edges with two equivalent N(2)LaW3 tetrahedra. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaWN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   5.851
_cell_length_c   7.958
_cell_angle_alpha   70.585
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.604
_cell_formula_units_Z   2
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  0.250  0.246  0.813  1.0
  La  La1  1  0.750  0.754  0.187  1.0
  W  W2  1  0.250  0.142  0.332  1.0
  W  W3  1  0.750  0.858  0.668  1.0
  N  N4  1  0.250  0.040  0.135  1.0
  N  N5  1  0.750  0.960  0.865  1.0
  N  N6  1  0.250  0.972  0.609  1.0
  N  N7  1  0.750  0.028  0.391  1.0
  N  N8  1  0.250  0.467  0.262  1.0
  N  N9  1  0.750  0.533  0.738  1.0
[/CIF]
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