The crystal structure described by Fe3Co3Si2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to one Fe(2), three equivalent Fe(3), one Si(2), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), one Co(2), three equivalent Co(1), and three equivalent Co(3) atoms. In the third Fe site, Fe(3) is bonded in a 14-coordinate geometry to three equivalent Fe(1), one Co(1), one Co(3), three equivalent Co(2), three equivalent Si(1), and three equivalent Si(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Fe(3), three equivalent Fe(2), one Si(2), and three equivalent Si(1) atoms. In the second Co site, Co(2) is bonded in a distorted body-centered cubic geometry to one Fe(2), three equivalent Fe(3), one Si(1), and three equivalent Si(2) atoms. In the third Co site, Co(3) is bonded in a body-centered cubic geometry to one Fe(3), three equivalent Fe(2), one Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(1), three equivalent Fe(3), one Co(2), one Co(3), and three equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(3), one Co(1), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3Co3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.834
_cell_length_b   6.834
_cell_length_c   6.834
_cell_angle_alpha   33.523
_cell_angle_beta   33.523
_cell_angle_gamma   33.523
_symmetry_Int_Tables_number   1
_cell_volume   86.698
_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  0.625  0.625  0.625  1.0
  Fe  Fe1  1  0.749  0.749  0.749  1.0
  Fe  Fe2  1  0.251  0.251  0.251  1.0
  Co  Co3  1  0.376  0.376  0.376  1.0
  Co  Co4  1  0.874  0.874  0.874  1.0
  Co  Co5  1  0.125  0.125  0.125  1.0
  Si  Si6  1  0.999  0.999  0.999  1.0
  Si  Si7  1  0.501  0.501  0.501  1.0
[/CIF]
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The crystal structure described by Fe3Co3Si2 is Tungsten-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted body-centered cubic geometry to one Fe(2), three equivalent Fe(3), one Si(2), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), one Co(2), three equivalent Co(1), and three equivalent Co(3) atoms. In the third Fe site, Fe(3) is bonded in a 14-coordinate geometry to three equivalent Fe(1), one Co(1), one Co(3), three equivalent Co(2), three equivalent Si(1), and three equivalent Si(2) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Fe(3), three equivalent Fe(2), one Si(2), and three equivalent Si(1) atoms. In the second Co site, Co(2) is bonded in a distorted body-centered cubic geometry to one Fe(2), three equivalent Fe(3), one Si(1), and three equivalent Si(2) atoms. In the third Co site, Co(3) is bonded in a body-centered cubic geometry to one Fe(3), three equivalent Fe(2), one Si(1), and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to three equivalent Fe(1), three equivalent Fe(3), one Co(2), one Co(3), and three equivalent Co(1) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(3), one Co(1), three equivalent Co(2), and three equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3Co3Si2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.834
_cell_length_b   6.834
_cell_length_c   6.834
_cell_angle_alpha   33.523
_cell_angle_beta   33.523
_cell_angle_gamma   33.523
_symmetry_Int_Tables_number   1
_cell_volume   86.698
_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  0.625  0.625  0.625  1.0
  Fe  Fe1  1  0.749  0.749  0.749  1.0
  Fe  Fe2  1  0.251  0.251  0.251  1.0
  Co  Co3  1  0.376  0.376  0.376  1.0
  Co  Co4  1  0.874  0.874  0.874  1.0
  Co  Co5  1  0.125  0.125  0.125  1.0
  Si  Si6  1  0.999  0.999  0.999  1.0
  Si  Si7  1  0.501  0.501  0.501  1.0
[/CIF]
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