The compound described by Fe3(WN2)4 crystallizes in the monoclinic C2/m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one N(2), one N(3), two equivalent N(1), and two equivalent N(4) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent N(3) and four equivalent N(4) atoms to form edge-sharing FeN6 octahedra. In the second Fe site, Fe(2) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form distorted edge-sharing FeN6 octahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one W(2), two equivalent W(1), and three equivalent Fe(2) atoms to form distorted NFe3W3 pentagonal pyramids that share corners with three equivalent N(2)Fe3W3 pentagonal pyramids, corners with two equivalent N(4)Fe2W3 trigonal bipyramids, edges with four equivalent N(1)Fe3W3 pentagonal pyramids, edges with five equivalent N(2)Fe3W3 pentagonal pyramids, and  a faceface with one N(4)Fe2W3 trigonal bipyramid. In the second N site, N(2) is bonded to one W(1), two equivalent W(2), and three equivalent Fe(2) atoms to form distorted NFe3W3 pentagonal pyramids that share corners with three equivalent N(1)Fe3W3 pentagonal pyramids, corners with four equivalent N(4)Fe2W3 trigonal bipyramids, edges with four equivalent N(2)Fe3W3 pentagonal pyramids, and edges with five equivalent N(1)Fe3W3 pentagonal pyramids. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one W(1), two equivalent W(2), and one Fe(1) atom. In the fourth N site, N(4) is bonded to one W(2), two equivalent W(1), and two equivalent Fe(1) atoms to form distorted NFe2W3 trigonal bipyramids that share corners with two equivalent N(1)Fe3W3 pentagonal pyramids, corners with four equivalent N(2)Fe3W3 pentagonal pyramids, corners with two equivalent N(4)Fe2W3 trigonal bipyramids, edges with three equivalent N(4)Fe2W3 trigonal bipyramids, and  a faceface with one N(1)Fe3W3 pentagonal pyramid. is represented by the CIF card [CIF]
data_Fe3(WN2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.796
_cell_length_b   10.796
_cell_length_c   5.000
_cell_angle_alpha   78.122
_cell_angle_beta   78.122
_cell_angle_gamma   15.286
_symmetry_Int_Tables_number   1
_cell_volume   150.274
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.248  0.248  0.776  1.0
  Fe  Fe2  1  0.752  0.752  0.224  1.0
  W  W3  1  0.377  0.377  0.624  1.0
  W  W4  1  0.884  0.884  0.123  1.0
  W  W5  1  0.623  0.623  0.376  1.0
  W  W6  1  0.116  0.116  0.877  1.0
  N  N7  1  0.816  0.816  0.852  1.0
  N  N8  1  0.317  0.317  0.341  1.0
  N  N9  1  0.683  0.683  0.659  1.0
  N  N10  1  0.184  0.184  0.148  1.0
  N  N11  1  0.560  0.560  0.748  1.0
  N  N12  1  0.059  0.059  0.275  1.0
  N  N13  1  0.941  0.941  0.725  1.0
  N  N14  1  0.440  0.440  0.252  1.0
[/CIF]
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The compound described by Fe3(WN2)4 crystallizes in the monoclinic C2/m space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 6-coordinate geometry to one N(2), one N(3), two equivalent N(1), and two equivalent N(4) atoms. In the second W site, W(2) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent N(3) and four equivalent N(4) atoms to form edge-sharing FeN6 octahedra. In the second Fe site, Fe(2) is bonded to three equivalent N(1) and three equivalent N(2) atoms to form distorted edge-sharing FeN6 octahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one W(2), two equivalent W(1), and three equivalent Fe(2) atoms to form distorted NFe3W3 pentagonal pyramids that share corners with three equivalent N(2)Fe3W3 pentagonal pyramids, corners with two equivalent N(4)Fe2W3 trigonal bipyramids, edges with four equivalent N(1)Fe3W3 pentagonal pyramids, edges with five equivalent N(2)Fe3W3 pentagonal pyramids, and  a faceface with one N(4)Fe2W3 trigonal bipyramid. In the second N site, N(2) is bonded to one W(1), two equivalent W(2), and three equivalent Fe(2) atoms to form distorted NFe3W3 pentagonal pyramids that share corners with three equivalent N(1)Fe3W3 pentagonal pyramids, corners with four equivalent N(4)Fe2W3 trigonal bipyramids, edges with four equivalent N(2)Fe3W3 pentagonal pyramids, and edges with five equivalent N(1)Fe3W3 pentagonal pyramids. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to one W(1), two equivalent W(2), and one Fe(1) atom. In the fourth N site, N(4) is bonded to one W(2), two equivalent W(1), and two equivalent Fe(1) atoms to form distorted NFe2W3 trigonal bipyramids that share corners with two equivalent N(1)Fe3W3 pentagonal pyramids, corners with four equivalent N(2)Fe3W3 pentagonal pyramids, corners with two equivalent N(4)Fe2W3 trigonal bipyramids, edges with three equivalent N(4)Fe2W3 trigonal bipyramids, and  a faceface with one N(1)Fe3W3 pentagonal pyramid. is represented by the CIF card [CIF]
data_Fe3(WN2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.796
_cell_length_b   10.796
_cell_length_c   5.000
_cell_angle_alpha   78.122
_cell_angle_beta   78.122
_cell_angle_gamma   15.286
_symmetry_Int_Tables_number   1
_cell_volume   150.274
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.248  0.248  0.776  1.0
  Fe  Fe2  1  0.752  0.752  0.224  1.0
  W  W3  1  0.377  0.377  0.624  1.0
  W  W4  1  0.884  0.884  0.123  1.0
  W  W5  1  0.623  0.623  0.376  1.0
  W  W6  1  0.116  0.116  0.877  1.0
  N  N7  1  0.816  0.816  0.852  1.0
  N  N8  1  0.317  0.317  0.341  1.0
  N  N9  1  0.683  0.683  0.659  1.0
  N  N10  1  0.184  0.184  0.148  1.0
  N  N11  1  0.560  0.560  0.748  1.0
  N  N12  1  0.059  0.059  0.275  1.0
  N  N13  1  0.941  0.941  0.725  1.0
  N  N14  1  0.440  0.440  0.252  1.0
[/CIF]
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