The crystal structure described by V(FeSe2)2 is alpha Pu-derived structured and crystallizes in the triclinic P1 space group. V(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(3), two equivalent Se(2), and two equivalent Se(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Se(2), one Se(4), two equivalent Se(1), and two equivalent Se(3) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one V(1), one Fe(2), and two equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to two equivalent V(1), one Fe(1), and one Fe(2) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one V(1), one Fe(2), and two equivalent Fe(1) atoms. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to two equivalent V(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.875
_cell_length_b   5.102
_cell_length_c   6.111
_cell_angle_alpha   98.074
_cell_angle_beta   112.090
_cell_angle_gamma   104.102
_symmetry_Int_Tables_number   1
_cell_volume   131.958
_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  0.195  0.381  0.710  1.0
  Fe  Fe1  1  0.931  0.583  0.289  1.0
  Fe  Fe2  1  0.609  0.723  0.504  1.0
  Se  Se3  1  0.346  0.356  0.151  1.0
  Se  Se4  1  0.309  0.873  0.688  1.0
  Se  Se5  1  0.816  0.065  0.318  1.0
  Se  Se6  1  0.794  0.519  0.840  1.0
[/CIF]
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The crystal structure described by V(FeSe2)2 is alpha Pu-derived structured and crystallizes in the triclinic P1 space group. V(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(3), two equivalent Se(2), and two equivalent Se(4) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Se(2), one Se(4), two equivalent Se(1), and two equivalent Se(3) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), one Se(3), and one Se(4) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one V(1), one Fe(2), and two equivalent Fe(1) atoms. In the second Se site, Se(2) is bonded in a 4-coordinate geometry to two equivalent V(1), one Fe(1), and one Fe(2) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one V(1), one Fe(2), and two equivalent Fe(1) atoms. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to two equivalent V(1), one Fe(1), and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.875
_cell_length_b   5.102
_cell_length_c   6.111
_cell_angle_alpha   98.074
_cell_angle_beta   112.090
_cell_angle_gamma   104.102
_symmetry_Int_Tables_number   1
_cell_volume   131.958
_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  0.195  0.381  0.710  1.0
  Fe  Fe1  1  0.931  0.583  0.289  1.0
  Fe  Fe2  1  0.609  0.723  0.504  1.0
  Se  Se3  1  0.346  0.356  0.151  1.0
  Se  Se4  1  0.309  0.873  0.688  1.0
  Se  Se5  1  0.816  0.065  0.318  1.0
  Se  Se6  1  0.794  0.519  0.840  1.0
[/CIF]
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