The compound described by Fe(CN)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to six equivalent C(1) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to six equivalent N(1) atoms. C(1) is bonded in a linear geometry to one Fe(1) and one N(1) atom. N(1) is bonded in a linear geometry to one Fe(2) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe(CN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.996
_cell_length_b   6.996
_cell_length_c   6.996
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   242.140
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.809  0.809  0.191  1.0
  C  C3  1  0.191  0.191  0.809  1.0
  C  C4  1  0.809  0.191  0.809  1.0
  C  C5  1  0.191  0.809  0.191  1.0
  C  C6  1  0.191  0.809  0.809  1.0
  C  C7  1  0.809  0.191  0.191  1.0
  N  N8  1  0.690  0.690  0.310  1.0
  N  N9  1  0.310  0.310  0.690  1.0
  N  N10  1  0.690  0.310  0.690  1.0
  N  N11  1  0.310  0.690  0.310  1.0
  N  N12  1  0.310  0.690  0.690  1.0
  N  N13  1  0.690  0.310  0.310  1.0
[/CIF]
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The compound described by Fe(CN)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to six equivalent C(1) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to six equivalent N(1) atoms. C(1) is bonded in a linear geometry to one Fe(1) and one N(1) atom. N(1) is bonded in a linear geometry to one Fe(2) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe(CN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.996
_cell_length_b   6.996
_cell_length_c   6.996
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   242.140
_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
  Fe  Fe0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.809  0.809  0.191  1.0
  C  C3  1  0.191  0.191  0.809  1.0
  C  C4  1  0.809  0.191  0.809  1.0
  C  C5  1  0.191  0.809  0.191  1.0
  C  C6  1  0.191  0.809  0.809  1.0
  C  C7  1  0.809  0.191  0.191  1.0
  N  N8  1  0.690  0.690  0.310  1.0
  N  N9  1  0.310  0.310  0.690  1.0
  N  N10  1  0.690  0.310  0.690  1.0
  N  N11  1  0.310  0.690  0.310  1.0
  N  N12  1  0.310  0.690  0.690  1.0
  N  N13  1  0.690  0.310  0.310  1.0
[/CIF]
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