The material structure described by Cu(FeCu(CN)6)2 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure consists of one 7440-50-8 atom inside a FeCu(CN)6 framework. In the FeCu(CN)6 framework, Fe(1) is bonded in an octahedral geometry to one N(2), one N(3), and four equivalent N(1) atoms. Cu(1) is bonded in an octahedral geometry to one C(2), one C(3), and four equivalent C(1) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cu(1) and one N(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Cu(1) and one N(2) atom. In the third C site, C(3) is bonded in a linear geometry to one Cu(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Fe(1) and one C(1) atom. In the second N site, N(2) is bonded in a linear geometry to one Fe(1) and one C(2) atom. In the third N site, N(3) is bonded in a linear geometry to one Fe(1) and one C(3) atom. is represented by the CIF card [CIF]
data_Fe2Cu3(CN)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.481
_cell_length_b   10.586
_cell_length_c   7.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   592.445
_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  0.000  0.997  0.000  1.0
  Fe  Fe1  1  0.500  0.503  0.500  1.0
  Cu  Cu2  1  0.000  0.501  0.000  1.0
  Cu  Cu3  1  0.500  0.999  0.500  1.0
  Cu  Cu4  1  0.500  0.250  0.000  1.0
  C  C5  1  0.194  0.500  0.808  1.0
  C  C6  1  0.692  0.000  0.306  1.0
  C  C7  1  0.000  0.307  0.000  1.0
  C  C8  1  0.500  0.807  0.500  1.0
  C  C9  1  0.194  0.500  0.192  1.0
  C  C10  1  0.692  0.000  0.694  1.0
  C  C11  1  0.000  0.693  0.000  1.0
  C  C12  1  0.500  0.193  0.500  1.0
  C  C13  1  0.806  0.500  0.808  1.0
  C  C14  1  0.308  0.000  0.306  1.0
  C  C15  1  0.806  0.500  0.192  1.0
  C  C16  1  0.308  0.000  0.694  1.0
  N  N17  1  0.305  0.498  0.698  1.0
  N  N18  1  0.802  0.002  0.195  1.0
  N  N19  1  0.000  0.196  0.000  1.0
  N  N20  1  0.500  0.696  0.500  1.0
  N  N21  1  0.305  0.498  0.302  1.0
  N  N22  1  0.802  0.002  0.805  1.0
  N  N23  1  0.000  0.804  0.000  1.0
  N  N24  1  0.500  0.304  0.500  1.0
  N  N25  1  0.695  0.498  0.698  1.0
  N  N26  1  0.198  0.002  0.195  1.0
  N  N27  1  0.695  0.498  0.302  1.0
  N  N28  1  0.198  0.002  0.805  1.0
[/CIF]
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The material structure described by Cu(FeCu(CN)6)2 is alpha Rhenium trioxide-derived structured and crystallizes in the tetragonal P-4m2 space group. The structure consists of one 7440-50-8 atom inside a FeCu(CN)6 framework. In the FeCu(CN)6 framework, Fe(1) is bonded in an octahedral geometry to one N(2), one N(3), and four equivalent N(1) atoms. Cu(1) is bonded in an octahedral geometry to one C(2), one C(3), and four equivalent C(1) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Cu(1) and one N(1) atom. In the second C site, C(2) is bonded in a linear geometry to one Cu(1) and one N(2) atom. In the third C site, C(3) is bonded in a linear geometry to one Cu(1) and one N(3) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Fe(1) and one C(1) atom. In the second N site, N(2) is bonded in a linear geometry to one Fe(1) and one C(2) atom. In the third N site, N(3) is bonded in a linear geometry to one Fe(1) and one C(3) atom. is represented by the CIF card [CIF]
data_Fe2Cu3(CN)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.481
_cell_length_b   10.586
_cell_length_c   7.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   592.445
_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  0.000  0.997  0.000  1.0
  Fe  Fe1  1  0.500  0.503  0.500  1.0
  Cu  Cu2  1  0.000  0.501  0.000  1.0
  Cu  Cu3  1  0.500  0.999  0.500  1.0
  Cu  Cu4  1  0.500  0.250  0.000  1.0
  C  C5  1  0.194  0.500  0.808  1.0
  C  C6  1  0.692  0.000  0.306  1.0
  C  C7  1  0.000  0.307  0.000  1.0
  C  C8  1  0.500  0.807  0.500  1.0
  C  C9  1  0.194  0.500  0.192  1.0
  C  C10  1  0.692  0.000  0.694  1.0
  C  C11  1  0.000  0.693  0.000  1.0
  C  C12  1  0.500  0.193  0.500  1.0
  C  C13  1  0.806  0.500  0.808  1.0
  C  C14  1  0.308  0.000  0.306  1.0
  C  C15  1  0.806  0.500  0.192  1.0
  C  C16  1  0.308  0.000  0.694  1.0
  N  N17  1  0.305  0.498  0.698  1.0
  N  N18  1  0.802  0.002  0.195  1.0
  N  N19  1  0.000  0.196  0.000  1.0
  N  N20  1  0.500  0.696  0.500  1.0
  N  N21  1  0.305  0.498  0.302  1.0
  N  N22  1  0.802  0.002  0.805  1.0
  N  N23  1  0.000  0.804  0.000  1.0
  N  N24  1  0.500  0.304  0.500  1.0
  N  N25  1  0.695  0.498  0.698  1.0
  N  N26  1  0.198  0.002  0.195  1.0
  N  N27  1  0.695  0.498  0.302  1.0
  N  N28  1  0.198  0.002  0.805  1.0
[/CIF]
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