The compound described by VFe3 crystallizes in the orthorhombic Cmmm space group. V(1) is bonded in a 4-coordinate geometry to four equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent V(1) and two equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.486
_cell_length_b   2.486
_cell_length_c   8.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.028
_symmetry_Int_Tables_number   1
_cell_volume   47.215
_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
  V  V0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.253  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.747  1.0
[/CIF]
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The compound described by VFe3 crystallizes in the orthorhombic Cmmm space group. V(1) is bonded in a 4-coordinate geometry to four equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 2-coordinate geometry to two equivalent V(1) and two equivalent Fe(2) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to four equivalent Fe(1) and four equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_VFe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.486
_cell_length_b   2.486
_cell_length_c   8.031
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.028
_symmetry_Int_Tables_number   1
_cell_volume   47.215
_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
  V  V0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.253  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.500  0.500  0.747  1.0
[/CIF]
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