The material described by FeH2(CN2)2 crystallizes in the orthorhombic Pnnm space group. Fe(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form edge-sharing FeN6 octahedra. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Fe(1), one C(1), and one H(1) atom to form a mixture of distorted corner and edge-sharing NFe2HC tetrahedra. In the second N site, N(2) is bonded in a linear geometry to one Fe(1) and one C(1) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_FeH2(CN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.181
_cell_length_b   6.355
_cell_length_c   8.339
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.601
_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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.500  0.298  0.929  1.0
  H  H3  1  0.500  0.702  0.071  1.0
  H  H4  1  0.000  0.798  0.571  1.0
  H  H5  1  0.000  0.202  0.429  1.0
  C  C6  1  0.500  0.676  0.839  1.0
  C  C7  1  0.500  0.324  0.161  1.0
  C  C8  1  0.000  0.176  0.661  1.0
  C  C9  1  0.000  0.824  0.339  1.0
  N  N10  1  0.500  0.794  0.970  1.0
  N  N11  1  0.500  0.206  0.030  1.0
  N  N12  1  0.000  0.294  0.530  1.0
  N  N13  1  0.000  0.706  0.470  1.0
  N  N14  1  0.500  0.587  0.715  1.0
  N  N15  1  0.500  0.413  0.285  1.0
  N  N16  1  0.000  0.087  0.785  1.0
  N  N17  1  0.000  0.913  0.215  1.0
[/CIF]
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The material described by FeH2(CN2)2 crystallizes in the orthorhombic Pnnm space group. Fe(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form edge-sharing FeN6 octahedra. C(1) is bonded in a linear geometry to one N(1) and one N(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Fe(1), one C(1), and one H(1) atom to form a mixture of distorted corner and edge-sharing NFe2HC tetrahedra. In the second N site, N(2) is bonded in a linear geometry to one Fe(1) and one C(1) atom. H(1) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_FeH2(CN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.181
_cell_length_b   6.355
_cell_length_c   8.339
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   168.601
_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  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.500  0.298  0.929  1.0
  H  H3  1  0.500  0.702  0.071  1.0
  H  H4  1  0.000  0.798  0.571  1.0
  H  H5  1  0.000  0.202  0.429  1.0
  C  C6  1  0.500  0.676  0.839  1.0
  C  C7  1  0.500  0.324  0.161  1.0
  C  C8  1  0.000  0.176  0.661  1.0
  C  C9  1  0.000  0.824  0.339  1.0
  N  N10  1  0.500  0.794  0.970  1.0
  N  N11  1  0.500  0.206  0.030  1.0
  N  N12  1  0.000  0.294  0.530  1.0
  N  N13  1  0.000  0.706  0.470  1.0
  N  N14  1  0.500  0.587  0.715  1.0
  N  N15  1  0.500  0.413  0.285  1.0
  N  N16  1  0.000  0.087  0.785  1.0
  N  N17  1  0.000  0.913  0.215  1.0
[/CIF]
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