The material described by V2FeSi is beta Uranium-derived structured and crystallizes in the orthorhombic Ama2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 14-coordinate geometry to two equivalent V(1), four equivalent V(2), four equivalent Fe(1), and four equivalent Si(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to four equivalent V(1), two equivalent Fe(1), and four equivalent Si(1) atoms. Fe(1) is bonded in a 2-coordinate geometry to two equivalent V(2), four equivalent V(1), and four equivalent Si(1) atoms. Si(1) is bonded to four equivalent V(1), four equivalent V(2), and four equivalent Fe(1) atoms to form a mixture of face and edge-sharing SiV8Fe4 cuboctahedra. is represented by the CIF card [CIF]
data_V2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   4.513
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.952
_symmetry_Int_Tables_number   1
_cell_volume   94.501
_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  0.498  0.498  0.500  1.0
  V  V1  1  0.240  0.006  0.750  1.0
  V  V2  1  0.006  0.240  0.250  1.0
  V  V3  1  0.498  0.498  1.000  1.0
  Fe  Fe4  1  0.747  0.006  0.750  1.0
  Fe  Fe5  1  0.006  0.747  0.250  1.0
  Si  Si6  1  0.511  0.995  0.250  1.0
  Si  Si7  1  0.995  0.511  0.750  1.0
[/CIF]
.
The material described by V2FeSi is beta Uranium-derived structured and crystallizes in the orthorhombic Ama2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 14-coordinate geometry to two equivalent V(1), four equivalent V(2), four equivalent Fe(1), and four equivalent Si(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to four equivalent V(1), two equivalent Fe(1), and four equivalent Si(1) atoms. Fe(1) is bonded in a 2-coordinate geometry to two equivalent V(2), four equivalent V(1), and four equivalent Si(1) atoms. Si(1) is bonded to four equivalent V(1), four equivalent V(2), and four equivalent Fe(1) atoms to form a mixture of face and edge-sharing SiV8Fe4 cuboctahedra. is represented by the CIF card [CIF]
data_V2FeSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.576
_cell_length_b   4.576
_cell_length_c   4.513
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.952
_symmetry_Int_Tables_number   1
_cell_volume   94.501
_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  0.498  0.498  0.500  1.0
  V  V1  1  0.240  0.006  0.750  1.0
  V  V2  1  0.006  0.240  0.250  1.0
  V  V3  1  0.498  0.498  1.000  1.0
  Fe  Fe4  1  0.747  0.006  0.750  1.0
  Fe  Fe5  1  0.006  0.747  0.250  1.0
  Si  Si6  1  0.511  0.995  0.250  1.0
  Si  Si7  1  0.995  0.511  0.750  1.0
[/CIF]
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