The material structure described by W2N3 crystallizes in the monoclinic Cm space group. There are three inequivalent W sites. In the first W site, W(1) is bonded to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing WN6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-45°. In the second W site, W(2) is bonded to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge, face, and corner-sharing WN6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. In the third W site, W(3) is bonded to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of edge, face, and corner-sharing WN6 octahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one W(2), one W(3), and two equivalent W(1) atoms. In the second N site, N(2) is bonded in a rectangular see-saw-like geometry to one W(2), one W(3), and two equivalent W(1) atoms. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one W(2), one W(3), and two equivalent W(1) atoms. In the fourth N site, N(4) is bonded in a rectangular see-saw-like geometry to one W(2), one W(3), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_W2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.980
_cell_length_b   4.980
_cell_length_c   5.353
_cell_angle_alpha   80.902
_cell_angle_beta   99.098
_cell_angle_gamma   60.313
_symmetry_Int_Tables_number   1
_cell_volume   109.452
_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
  W  W0  1  0.660  0.669  0.991  1.0
  W  W1  1  0.344  0.323  0.016  1.0
  W  W2  1  0.997  0.006  0.991  1.0
  W  W3  1  0.159  0.508  0.479  1.0
  N  N4  1  0.760  0.906  0.250  1.0
  N  N5  1  0.412  0.588  0.253  1.0
  N  N6  1  0.079  0.255  0.253  1.0
  N  N7  1  0.247  0.736  0.749  1.0
  N  N8  1  0.570  0.096  0.747  1.0
  N  N9  1  0.931  0.420  0.749  1.0
[/CIF]
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The material structure described by W2N3 crystallizes in the monoclinic Cm space group. There are three inequivalent W sites. In the first W site, W(1) is bonded to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge and corner-sharing WN6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 4-45°. In the second W site, W(2) is bonded to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of distorted edge, face, and corner-sharing WN6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°. In the third W site, W(3) is bonded to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms to form a mixture of edge, face, and corner-sharing WN6 octahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded in a rectangular see-saw-like geometry to one W(2), one W(3), and two equivalent W(1) atoms. In the second N site, N(2) is bonded in a rectangular see-saw-like geometry to one W(2), one W(3), and two equivalent W(1) atoms. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one W(2), one W(3), and two equivalent W(1) atoms. In the fourth N site, N(4) is bonded in a rectangular see-saw-like geometry to one W(2), one W(3), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_W2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.980
_cell_length_b   4.980
_cell_length_c   5.353
_cell_angle_alpha   80.902
_cell_angle_beta   99.098
_cell_angle_gamma   60.313
_symmetry_Int_Tables_number   1
_cell_volume   109.452
_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
  W  W0  1  0.660  0.669  0.991  1.0
  W  W1  1  0.344  0.323  0.016  1.0
  W  W2  1  0.997  0.006  0.991  1.0
  W  W3  1  0.159  0.508  0.479  1.0
  N  N4  1  0.760  0.906  0.250  1.0
  N  N5  1  0.412  0.588  0.253  1.0
  N  N6  1  0.079  0.255  0.253  1.0
  N  N7  1  0.247  0.736  0.749  1.0
  N  N8  1  0.570  0.096  0.747  1.0
  N  N9  1  0.931  0.420  0.749  1.0
[/CIF]
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