The material described by KNiFe(CN)6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic F-43m space group. The structure consists of four 7440-09-7 atoms inside a NiFe(CN)6 framework. In the NiFe(CN)6 framework, Fe(1) is bonded in an octahedral geometry to six equivalent C(1) atoms. Ni(1) 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 Ni(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KFeNi(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   7.320
_cell_length_c   7.320
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   277.360
_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
  K  K0  1  0.750  0.750  0.750  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  C  C3  1  0.186  0.186  0.814  1.0
  C  C4  1  0.186  0.814  0.186  1.0
  C  C5  1  0.186  0.814  0.814  1.0
  C  C6  1  0.814  0.186  0.186  1.0
  C  C7  1  0.814  0.186  0.814  1.0
  C  C8  1  0.814  0.814  0.186  1.0
  N  N9  1  0.299  0.299  0.701  1.0
  N  N10  1  0.299  0.701  0.299  1.0
  N  N11  1  0.299  0.701  0.701  1.0
  N  N12  1  0.701  0.299  0.299  1.0
  N  N13  1  0.701  0.299  0.701  1.0
  N  N14  1  0.701  0.701  0.299  1.0
[/CIF]
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The material described by KNiFe(CN)6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic F-43m space group. The structure consists of four 7440-09-7 atoms inside a NiFe(CN)6 framework. In the NiFe(CN)6 framework, Fe(1) is bonded in an octahedral geometry to six equivalent C(1) atoms. Ni(1) 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 Ni(1) and one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KFeNi(CN)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   7.320
_cell_length_c   7.320
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   277.360
_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
  K  K0  1  0.750  0.750  0.750  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  C  C3  1  0.186  0.186  0.814  1.0
  C  C4  1  0.186  0.814  0.186  1.0
  C  C5  1  0.186  0.814  0.814  1.0
  C  C6  1  0.814  0.186  0.186  1.0
  C  C7  1  0.814  0.186  0.814  1.0
  C  C8  1  0.814  0.814  0.186  1.0
  N  N9  1  0.299  0.299  0.701  1.0
  N  N10  1  0.299  0.701  0.299  1.0
  N  N11  1  0.299  0.701  0.701  1.0
  N  N12  1  0.701  0.299  0.299  1.0
  N  N13  1  0.701  0.299  0.701  1.0
  N  N14  1  0.701  0.701  0.299  1.0
[/CIF]
.