The compound described by FeWN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. W(1) is bonded to six equivalent N(1) atoms to form distorted WN6 pentagonal pyramids that share corners with twelve equivalent Fe(1)N6 octahedra, edges with six equivalent W(1)N6 pentagonal pyramids, and faces with two equivalent Fe(1)N6 octahedra. The corner-sharing octahedral tilt angles are 45°. Fe(1) is bonded to six equivalent N(1) atoms to form FeN6 octahedra that share corners with twelve equivalent W(1)N6 pentagonal pyramids, edges with six equivalent Fe(1)N6 octahedra, and faces with two equivalent W(1)N6 pentagonal pyramids. N(1) is bonded to three equivalent W(1) and three equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing NFe3W3 pentagonal pyramids. is represented by the CIF file [CIF]
data_FeWN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.889
_cell_length_b   2.889
_cell_length_c   11.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   79.873
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  W  W2  1  0.000  0.000  0.750  1.0
  W  W3  1  0.000  0.000  0.250  1.0
  N  N4  1  0.667  0.333  0.632  1.0
  N  N5  1  0.333  0.667  0.132  1.0
  N  N6  1  0.667  0.333  0.868  1.0
  N  N7  1  0.333  0.667  0.368  1.0
[/CIF]
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The compound described by FeWN2 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mmc space group. W(1) is bonded to six equivalent N(1) atoms to form distorted WN6 pentagonal pyramids that share corners with twelve equivalent Fe(1)N6 octahedra, edges with six equivalent W(1)N6 pentagonal pyramids, and faces with two equivalent Fe(1)N6 octahedra. The corner-sharing octahedral tilt angles are 45°. Fe(1) is bonded to six equivalent N(1) atoms to form FeN6 octahedra that share corners with twelve equivalent W(1)N6 pentagonal pyramids, edges with six equivalent Fe(1)N6 octahedra, and faces with two equivalent W(1)N6 pentagonal pyramids. N(1) is bonded to three equivalent W(1) and three equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing NFe3W3 pentagonal pyramids. is represented by the CIF file [CIF]
data_FeWN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.889
_cell_length_b   2.889
_cell_length_c   11.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   79.873
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.000  0.000  0.500  1.0
  W  W2  1  0.000  0.000  0.750  1.0
  W  W3  1  0.000  0.000  0.250  1.0
  N  N4  1  0.667  0.333  0.632  1.0
  N  N5  1  0.333  0.667  0.132  1.0
  N  N6  1  0.667  0.333  0.868  1.0
  N  N7  1  0.333  0.667  0.368  1.0
[/CIF]
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