The material structure described by Fe(CN)3O2 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic F-43m space group. The structure consists of four h20 trihydrate molecules inside a Fe(CN)3 framework. In the Fe(CN)3 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to six equivalent C(1) atoms. C(1) is bonded in a linear geometry to one Fe(2) and one N(1) atom. N(1) is bonded in a linear geometry to one Fe(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeC3N3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.714
_cell_length_b   7.714
_cell_length_c   7.714
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   324.643
_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  0.701  0.701  0.299  1.0
  C  C3  1  0.299  0.701  0.299  1.0
  C  C4  1  0.701  0.299  0.299  1.0
  C  C5  1  0.299  0.299  0.701  1.0
  C  C6  1  0.701  0.299  0.701  1.0
  C  C7  1  0.299  0.701  0.701  1.0
  N  N8  1  0.809  0.809  0.191  1.0
  N  N9  1  0.191  0.809  0.191  1.0
  N  N10  1  0.809  0.191  0.191  1.0
  N  N11  1  0.191  0.191  0.809  1.0
  N  N12  1  0.809  0.191  0.809  1.0
  N  N13  1  0.191  0.809  0.809  1.0
  O  O14  1  0.691  0.691  0.926  1.0
  O  O15  1  0.691  0.926  0.691  1.0
  O  O16  1  0.926  0.691  0.691  1.0
  O  O17  1  0.691  0.691  0.691  1.0
[/CIF]
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The material structure described by Fe(CN)3O2 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic F-43m space group. The structure consists of four h20 trihydrate molecules inside a Fe(CN)3 framework. In the Fe(CN)3 framework, there are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. In the second Fe site, Fe(2) is bonded in an octahedral geometry to six equivalent C(1) atoms. C(1) is bonded in a linear geometry to one Fe(2) and one N(1) atom. N(1) is bonded in a linear geometry to one Fe(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeC3N3O2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.714
_cell_length_b   7.714
_cell_length_c   7.714
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   324.643
_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  0.701  0.701  0.299  1.0
  C  C3  1  0.299  0.701  0.299  1.0
  C  C4  1  0.701  0.299  0.299  1.0
  C  C5  1  0.299  0.299  0.701  1.0
  C  C6  1  0.701  0.299  0.701  1.0
  C  C7  1  0.299  0.701  0.701  1.0
  N  N8  1  0.809  0.809  0.191  1.0
  N  N9  1  0.191  0.809  0.191  1.0
  N  N10  1  0.809  0.191  0.191  1.0
  N  N11  1  0.191  0.191  0.809  1.0
  N  N12  1  0.809  0.191  0.809  1.0
  N  N13  1  0.191  0.809  0.809  1.0
  O  O14  1  0.691  0.691  0.926  1.0
  O  O15  1  0.691  0.926  0.691  1.0
  O  O16  1  0.926  0.691  0.691  1.0
  O  O17  1  0.691  0.691  0.691  1.0
[/CIF]
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