The compound described by VFe2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. V(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form VN4 tetrahedra that share corners with two equivalent V(1)N4 tetrahedra and corners with ten equivalent Fe(1)N4 tetrahedra. Fe(1) is bonded to one N(2) and three equivalent N(1) atoms to form FeN4 tetrahedra that share corners with five equivalent V(1)N4 tetrahedra and corners with seven equivalent Fe(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent V(1) and two equivalent Fe(1) atoms to form NV2Fe2 tetrahedra that share corners with two equivalent N(2)V2Fe2 tetrahedra and corners with ten equivalent N(1)VFe3 tetrahedra. In the second N site, N(1) is bonded to one V(1) and three equivalent Fe(1) atoms to form NVFe3 tetrahedra that share corners with five equivalent N(2)V2Fe2 tetrahedra and corners with seven equivalent N(1)VFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   5.248
_cell_length_c   4.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.667
_symmetry_Int_Tables_number   1
_cell_volume   119.046
_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  0.000  0.680  0.479  1.0
  V  V1  1  0.000  0.320  0.979  1.0
  Fe  Fe2  1  0.307  0.299  0.499  1.0
  Fe  Fe3  1  0.693  0.991  0.499  1.0
  Fe  Fe4  1  0.693  0.701  0.999  1.0
  Fe  Fe5  1  0.307  0.009  0.999  1.0
  N  N6  1  0.363  0.364  0.867  1.0
  N  N7  1  0.637  0.001  0.867  1.0
  N  N8  1  0.637  0.636  0.367  1.0
  N  N9  1  0.363  0.999  0.367  1.0
  N  N10  1  0.000  0.672  0.862  1.0
  N  N11  1  0.000  0.328  0.362  1.0
[/CIF]
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The compound described by VFe2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. V(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form VN4 tetrahedra that share corners with two equivalent V(1)N4 tetrahedra and corners with ten equivalent Fe(1)N4 tetrahedra. Fe(1) is bonded to one N(2) and three equivalent N(1) atoms to form FeN4 tetrahedra that share corners with five equivalent V(1)N4 tetrahedra and corners with seven equivalent Fe(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(2) is bonded to two equivalent V(1) and two equivalent Fe(1) atoms to form NV2Fe2 tetrahedra that share corners with two equivalent N(2)V2Fe2 tetrahedra and corners with ten equivalent N(1)VFe3 tetrahedra. In the second N site, N(1) is bonded to one V(1) and three equivalent Fe(1) atoms to form NVFe3 tetrahedra that share corners with five equivalent N(2)V2Fe2 tetrahedra and corners with seven equivalent N(1)VFe3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFe2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.301
_cell_length_b   5.248
_cell_length_c   4.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.667
_symmetry_Int_Tables_number   1
_cell_volume   119.046
_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  0.000  0.680  0.479  1.0
  V  V1  1  0.000  0.320  0.979  1.0
  Fe  Fe2  1  0.307  0.299  0.499  1.0
  Fe  Fe3  1  0.693  0.991  0.499  1.0
  Fe  Fe4  1  0.693  0.701  0.999  1.0
  Fe  Fe5  1  0.307  0.009  0.999  1.0
  N  N6  1  0.363  0.364  0.867  1.0
  N  N7  1  0.637  0.001  0.867  1.0
  N  N8  1  0.637  0.636  0.367  1.0
  N  N9  1  0.363  0.999  0.367  1.0
  N  N10  1  0.000  0.672  0.862  1.0
  N  N11  1  0.000  0.328  0.362  1.0
[/CIF]
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