The material described by VFeSe3FeSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one iron selenide molecule and one VFeSe3 cluster. In the VFeSe3 cluster, V(1) is bonded in a 1-coordinate geometry to one Se(3) and one Se(4) atom. Fe(2) is bonded in a 2-coordinate geometry to one Se(1) and one Se(4) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to one Fe(2) atom. In the second Se site, Se(3) is bonded in a single-bond geometry to one V(1) atom. In the third Se site, Se(4) is bonded in a distorted water-like geometry to one V(1) and one Fe(2) atom. is represented by the CIF card [CIF]
data_V(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   4.953
_cell_length_c   4.867
_cell_angle_alpha   106.793
_cell_angle_beta   111.305
_cell_angle_gamma   94.851
_symmetry_Int_Tables_number   1
_cell_volume   121.555
_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  0.496  0.678  0.633  1.0
  Fe  Fe1  1  0.357  0.277  0.431  1.0
  Fe  Fe2  1  0.916  0.219  0.248  1.0
  Se  Se3  1  0.799  0.210  0.613  1.0
  Se  Se4  1  0.392  0.196  0.125  1.0
  Se  Se5  1  0.490  0.761  0.952  1.0
  Se  Se6  1  0.050  0.660  0.498  1.0
[/CIF]
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The material described by VFeSe3FeSe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one iron selenide molecule and one VFeSe3 cluster. In the VFeSe3 cluster, V(1) is bonded in a 1-coordinate geometry to one Se(3) and one Se(4) atom. Fe(2) is bonded in a 2-coordinate geometry to one Se(1) and one Se(4) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to one Fe(2) atom. In the second Se site, Se(3) is bonded in a single-bond geometry to one V(1) atom. In the third Se site, Se(4) is bonded in a distorted water-like geometry to one V(1) and one Fe(2) atom. is represented by the CIF card [CIF]
data_V(FeSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.785
_cell_length_b   4.953
_cell_length_c   4.867
_cell_angle_alpha   106.793
_cell_angle_beta   111.305
_cell_angle_gamma   94.851
_symmetry_Int_Tables_number   1
_cell_volume   121.555
_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  0.496  0.678  0.633  1.0
  Fe  Fe1  1  0.357  0.277  0.431  1.0
  Fe  Fe2  1  0.916  0.219  0.248  1.0
  Se  Se3  1  0.799  0.210  0.613  1.0
  Se  Se4  1  0.392  0.196  0.125  1.0
  Se  Se5  1  0.490  0.761  0.952  1.0
  Se  Se6  1  0.050  0.660  0.498  1.0
[/CIF]
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