The structure described by Fe2CoSe4 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. Co(1) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted pentagonal planar geometry to one Fe(1), two equivalent Fe(2), and two equivalent Co(1) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Fe(1), two equivalent Fe(2), and two equivalent Co(1) atoms. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Co(1) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_Fe2CoSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.671
_cell_length_b   5.062
_cell_length_c   5.897
_cell_angle_alpha   114.584
_cell_angle_beta   112.702
_cell_angle_gamma   89.406
_symmetry_Int_Tables_number   1
_cell_volume   115.080
_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
  Fe  Fe0  1  0.864  0.601  0.841  1.0
  Fe  Fe1  1  0.611  0.793  0.228  1.0
  Co  Co2  1  0.088  0.459  0.253  1.0
  Se  Se3  1  0.131  0.951  0.308  1.0
  Se  Se4  1  0.624  0.387  0.327  1.0
  Se  Se5  1  0.331  0.694  0.770  1.0
  Se  Se6  1  0.851  0.114  0.773  1.0
[/CIF]
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The structure described by Fe2CoSe4 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Se(1), one Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. Co(1) is bonded in a 6-coordinate geometry to one Se(3), one Se(4), two equivalent Se(1), and two equivalent Se(2) atoms. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted pentagonal planar geometry to one Fe(1), two equivalent Fe(2), and two equivalent Co(1) atoms. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Fe(1), two equivalent Fe(2), and two equivalent Co(1) atoms. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Co(1) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(1), and one Co(1) atom. is represented by the CIF file [CIF]
data_Fe2CoSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.671
_cell_length_b   5.062
_cell_length_c   5.897
_cell_angle_alpha   114.584
_cell_angle_beta   112.702
_cell_angle_gamma   89.406
_symmetry_Int_Tables_number   1
_cell_volume   115.080
_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
  Fe  Fe0  1  0.864  0.601  0.841  1.0
  Fe  Fe1  1  0.611  0.793  0.228  1.0
  Co  Co2  1  0.088  0.459  0.253  1.0
  Se  Se3  1  0.131  0.951  0.308  1.0
  Se  Se4  1  0.624  0.387  0.327  1.0
  Se  Se5  1  0.331  0.694  0.770  1.0
  Se  Se6  1  0.851  0.114  0.773  1.0
[/CIF]
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