The crystal structure described by V(FeN)4 crystallizes in the triclinic P-1 space group. V(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted VN4 tetrahedra that share  a cornercorner with one Fe(4)N5 square pyramid, corners with three equivalent Fe(3)N5 square pyramids, corners with four equivalent Fe(1)N4 tetrahedra,  an edgeedge with one Fe(3)N5 square pyramid, and edges with two equivalent Fe(4)N5 square pyramids. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted FeN4 tetrahedra that share  a cornercorner with one Fe(3)N5 square pyramid, corners with three equivalent Fe(4)N5 square pyramids, corners with four equivalent V(1)N4 tetrahedra,  an edgeedge with one Fe(4)N5 square pyramid, and edges with two equivalent Fe(3)N5 square pyramids. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Fe site, Fe(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form FeN5 square pyramids that share corners with three equivalent Fe(4)N5 square pyramids,  a cornercorner with one Fe(1)N4 tetrahedra, corners with three equivalent V(1)N4 tetrahedra, edges with two equivalent Fe(3)N5 square pyramids, edges with three equivalent Fe(4)N5 square pyramids,  an edgeedge with one V(1)N4 tetrahedra, and edges with two equivalent Fe(1)N4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form FeN5 square pyramids that share corners with three equivalent Fe(3)N5 square pyramids,  a cornercorner with one V(1)N4 tetrahedra, corners with three equivalent Fe(1)N4 tetrahedra, edges with two equivalent Fe(4)N5 square pyramids, edges with three equivalent Fe(3)N5 square pyramids,  an edgeedge with one Fe(1)N4 tetrahedra, and edges with two equivalent V(1)N4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one V(1), one Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms to form NVFe5 octahedra that share corners with two equivalent N(3)VFe5 octahedra, corners with two equivalent N(4)VFe5 octahedra, corners with two equivalent N(2)VFe3 tetrahedra, edges with two equivalent N(1)VFe5 octahedra, edges with two equivalent N(3)VFe5 octahedra, and edges with four equivalent N(4)VFe5 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second N site, N(2) is bonded to one V(1), one Fe(1), and two equivalent Fe(2) atoms to form NVFe3 tetrahedra that share corners with two equivalent N(1)VFe5 octahedra, corners with two equivalent N(4)VFe5 octahedra, corners with six equivalent N(3)VFe5 octahedra, and  an edgeedge with one N(2)VFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 51-70°. In the third N site, N(3) is bonded to one V(1), one Fe(1), one Fe(3), one Fe(4), and two equivalent Fe(2) atoms to form NVFe5 octahedra that share corners with two equivalent N(1)VFe5 octahedra, corners with six equivalent N(2)VFe3 tetrahedra,  an edgeedge with one N(3)VFe5 octahedra, edges with two equivalent N(1)VFe5 octahedra, and edges with three equivalent N(4)VFe5 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fourth N site, N(4) is bonded to one V(1), one Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms to form NVFe5 octahedra that share corners with two equivalent N(1)VFe5 octahedra, corners with two equivalent N(2)VFe3 tetrahedra, edges with two equivalent N(4)VFe5 octahedra, edges with three equivalent N(3)VFe5 octahedra, and edges with four equivalent N(1)VFe5 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_V(FeN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.938
_cell_length_b   4.928
_cell_length_c   7.675
_cell_angle_alpha   72.567
_cell_angle_beta   84.529
_cell_angle_gamma   70.299
_symmetry_Int_Tables_number   1
_cell_volume   167.765
_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
  V  V0  1  0.740  0.852  0.783  1.0
  V  V1  1  0.260  0.148  0.217  1.0
  Fe  Fe2  1  0.729  0.612  0.213  1.0
  Fe  Fe3  1  0.271  0.388  0.787  1.0
  Fe  Fe4  1  0.746  0.258  0.997  1.0
  Fe  Fe5  1  0.254  0.742  0.003  1.0
  Fe  Fe6  1  0.772  0.427  0.612  1.0
  Fe  Fe7  1  0.228  0.573  0.388  1.0
  Fe  Fe8  1  0.235  0.961  0.621  1.0
  Fe  Fe9  1  0.765  0.039  0.379  1.0
  N  N10  1  0.003  0.701  0.604  1.0
  N  N11  1  0.997  0.299  0.396  1.0
  N  N12  1  0.851  0.848  0.011  1.0
  N  N13  1  0.149  0.152  0.989  1.0
  N  N14  1  0.504  0.601  0.816  1.0
  N  N15  1  0.496  0.399  0.184  1.0
  N  N16  1  0.501  0.803  0.390  1.0
  N  N17  1  0.499  0.197  0.610  1.0
[/CIF]
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The crystal structure described by V(FeN)4 crystallizes in the triclinic P-1 space group. V(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted VN4 tetrahedra that share  a cornercorner with one Fe(4)N5 square pyramid, corners with three equivalent Fe(3)N5 square pyramids, corners with four equivalent Fe(1)N4 tetrahedra,  an edgeedge with one Fe(3)N5 square pyramid, and edges with two equivalent Fe(4)N5 square pyramids. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form distorted FeN4 tetrahedra that share  a cornercorner with one Fe(3)N5 square pyramid, corners with three equivalent Fe(4)N5 square pyramids, corners with four equivalent V(1)N4 tetrahedra,  an edgeedge with one Fe(4)N5 square pyramid, and edges with two equivalent Fe(3)N5 square pyramids. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. In the third Fe site, Fe(3) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form FeN5 square pyramids that share corners with three equivalent Fe(4)N5 square pyramids,  a cornercorner with one Fe(1)N4 tetrahedra, corners with three equivalent V(1)N4 tetrahedra, edges with two equivalent Fe(3)N5 square pyramids, edges with three equivalent Fe(4)N5 square pyramids,  an edgeedge with one V(1)N4 tetrahedra, and edges with two equivalent Fe(1)N4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one N(3), two equivalent N(1), and two equivalent N(4) atoms to form FeN5 square pyramids that share corners with three equivalent Fe(3)N5 square pyramids,  a cornercorner with one V(1)N4 tetrahedra, corners with three equivalent Fe(1)N4 tetrahedra, edges with two equivalent Fe(4)N5 square pyramids, edges with three equivalent Fe(3)N5 square pyramids,  an edgeedge with one Fe(1)N4 tetrahedra, and edges with two equivalent V(1)N4 tetrahedra. There are four inequivalent N sites. In the first N site, N(1) is bonded to one V(1), one Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms to form NVFe5 octahedra that share corners with two equivalent N(3)VFe5 octahedra, corners with two equivalent N(4)VFe5 octahedra, corners with two equivalent N(2)VFe3 tetrahedra, edges with two equivalent N(1)VFe5 octahedra, edges with two equivalent N(3)VFe5 octahedra, and edges with four equivalent N(4)VFe5 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second N site, N(2) is bonded to one V(1), one Fe(1), and two equivalent Fe(2) atoms to form NVFe3 tetrahedra that share corners with two equivalent N(1)VFe5 octahedra, corners with two equivalent N(4)VFe5 octahedra, corners with six equivalent N(3)VFe5 octahedra, and  an edgeedge with one N(2)VFe3 tetrahedra. The corner-sharing octahedral tilt angles range from 51-70°. In the third N site, N(3) is bonded to one V(1), one Fe(1), one Fe(3), one Fe(4), and two equivalent Fe(2) atoms to form NVFe5 octahedra that share corners with two equivalent N(1)VFe5 octahedra, corners with six equivalent N(2)VFe3 tetrahedra,  an edgeedge with one N(3)VFe5 octahedra, edges with two equivalent N(1)VFe5 octahedra, and edges with three equivalent N(4)VFe5 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fourth N site, N(4) is bonded to one V(1), one Fe(1), two equivalent Fe(3), and two equivalent Fe(4) atoms to form NVFe5 octahedra that share corners with two equivalent N(1)VFe5 octahedra, corners with two equivalent N(2)VFe3 tetrahedra, edges with two equivalent N(4)VFe5 octahedra, edges with three equivalent N(3)VFe5 octahedra, and edges with four equivalent N(1)VFe5 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_V(FeN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.938
_cell_length_b   4.928
_cell_length_c   7.675
_cell_angle_alpha   72.567
_cell_angle_beta   84.529
_cell_angle_gamma   70.299
_symmetry_Int_Tables_number   1
_cell_volume   167.765
_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
  V  V0  1  0.740  0.852  0.783  1.0
  V  V1  1  0.260  0.148  0.217  1.0
  Fe  Fe2  1  0.729  0.612  0.213  1.0
  Fe  Fe3  1  0.271  0.388  0.787  1.0
  Fe  Fe4  1  0.746  0.258  0.997  1.0
  Fe  Fe5  1  0.254  0.742  0.003  1.0
  Fe  Fe6  1  0.772  0.427  0.612  1.0
  Fe  Fe7  1  0.228  0.573  0.388  1.0
  Fe  Fe8  1  0.235  0.961  0.621  1.0
  Fe  Fe9  1  0.765  0.039  0.379  1.0
  N  N10  1  0.003  0.701  0.604  1.0
  N  N11  1  0.997  0.299  0.396  1.0
  N  N12  1  0.851  0.848  0.011  1.0
  N  N13  1  0.149  0.152  0.989  1.0
  N  N14  1  0.504  0.601  0.816  1.0
  N  N15  1  0.496  0.399  0.184  1.0
  N  N16  1  0.501  0.803  0.390  1.0
  N  N17  1  0.499  0.197  0.610  1.0
[/CIF]
.