The compound described by Fe5CdN4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. Cd(1) is bonded in a 2-coordinate geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Fe(2), two equivalent Fe(1), and one Cd(1) atom. In the second N site, N(2) is bonded to one Fe(2) and four equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing NFe5 trigonal bipyramids. is represented by the CIF file [CIF]
data_CdFe5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.206
_cell_length_b   5.408
_cell_length_c   4.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.592
_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
  Cd  Cd0  1  0.750  0.250  0.694  1.0
  Cd  Cd1  1  0.250  0.750  0.306  1.0
  Fe  Fe2  1  0.551  0.504  0.262  1.0
  Fe  Fe3  1  0.949  0.504  0.262  1.0
  Fe  Fe4  1  0.551  0.996  0.262  1.0
  Fe  Fe5  1  0.949  0.996  0.262  1.0
  Fe  Fe6  1  0.449  0.496  0.738  1.0
  Fe  Fe7  1  0.051  0.496  0.738  1.0
  Fe  Fe8  1  0.449  0.004  0.738  1.0
  Fe  Fe9  1  0.051  0.004  0.738  1.0
  Fe  Fe10  1  0.750  0.750  0.854  1.0
  Fe  Fe11  1  0.250  0.250  0.146  1.0
  N  N12  1  0.750  0.990  0.138  1.0
  N  N13  1  0.750  0.510  0.138  1.0
  N  N14  1  0.250  0.010  0.862  1.0
  N  N15  1  0.250  0.490  0.862  1.0
  N  N16  1  0.575  0.750  0.560  1.0
  N  N17  1  0.925  0.750  0.560  1.0
  N  N18  1  0.425  0.250  0.440  1.0
  N  N19  1  0.075  0.250  0.440  1.0
[/CIF]
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The compound described by Fe5CdN4 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a distorted trigonal non-coplanar geometry to one N(1) and two equivalent N(2) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(2) atoms. Cd(1) is bonded in a 2-coordinate geometry to two equivalent N(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Fe(2), two equivalent Fe(1), and one Cd(1) atom. In the second N site, N(2) is bonded to one Fe(2) and four equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing NFe5 trigonal bipyramids. is represented by the CIF file [CIF]
data_CdFe5N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.206
_cell_length_b   5.408
_cell_length_c   4.655
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   206.592
_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
  Cd  Cd0  1  0.750  0.250  0.694  1.0
  Cd  Cd1  1  0.250  0.750  0.306  1.0
  Fe  Fe2  1  0.551  0.504  0.262  1.0
  Fe  Fe3  1  0.949  0.504  0.262  1.0
  Fe  Fe4  1  0.551  0.996  0.262  1.0
  Fe  Fe5  1  0.949  0.996  0.262  1.0
  Fe  Fe6  1  0.449  0.496  0.738  1.0
  Fe  Fe7  1  0.051  0.496  0.738  1.0
  Fe  Fe8  1  0.449  0.004  0.738  1.0
  Fe  Fe9  1  0.051  0.004  0.738  1.0
  Fe  Fe10  1  0.750  0.750  0.854  1.0
  Fe  Fe11  1  0.250  0.250  0.146  1.0
  N  N12  1  0.750  0.990  0.138  1.0
  N  N13  1  0.750  0.510  0.138  1.0
  N  N14  1  0.250  0.010  0.862  1.0
  N  N15  1  0.250  0.490  0.862  1.0
  N  N16  1  0.575  0.750  0.560  1.0
  N  N17  1  0.925  0.750  0.560  1.0
  N  N18  1  0.425  0.250  0.440  1.0
  N  N19  1  0.075  0.250  0.440  1.0
[/CIF]
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