The material structure described by (FeCl4)2Fe(NCH)6 is Indium-like structured and crystallizes in the trigonal P-3 space group. The structure is zero-dimensional and consists of two tetrachloroferrat(iii) molecules and one Fe(NCH)6 cluster. In the Fe(NCH)6 cluster, Fe(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. C(1) is bonded in a linear geometry to one N(1) and one H(1) atom. N(1) 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 C(1) atom. is represented by the CIF file [CIF]
data_Fe3H6C6(N3Cl4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.955
_cell_length_b   9.955
_cell_length_c   6.153
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   528.039
_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  0.000  0.000  1.0
  Fe  Fe1  1  0.333  0.667  0.141  1.0
  Fe  Fe2  1  0.667  0.333  0.859  1.0
  H  H3  1  0.086  0.390  0.650  1.0
  H  H4  1  0.304  0.914  0.650  1.0
  H  H5  1  0.610  0.696  0.650  1.0
  H  H6  1  0.914  0.610  0.350  1.0
  H  H7  1  0.696  0.086  0.350  1.0
  H  H8  1  0.390  0.304  0.350  1.0
  C  C9  1  0.063  0.285  0.735  1.0
  C  C10  1  0.222  0.937  0.735  1.0
  C  C11  1  0.715  0.778  0.735  1.0
  C  C12  1  0.937  0.715  0.265  1.0
  C  C13  1  0.778  0.063  0.265  1.0
  C  C14  1  0.285  0.222  0.265  1.0
  N  N15  1  0.039  0.174  0.827  1.0
  N  N16  1  0.135  0.961  0.827  1.0
  N  N17  1  0.826  0.865  0.827  1.0
  N  N18  1  0.961  0.826  0.173  1.0
  N  N19  1  0.865  0.039  0.173  1.0
  N  N20  1  0.174  0.135  0.173  1.0
  Cl  Cl21  1  0.333  0.667  0.781  1.0
  Cl  Cl22  1  0.667  0.333  0.219  1.0
  Cl  Cl23  1  0.520  0.627  0.257  1.0
  Cl  Cl24  1  0.107  0.480  0.257  1.0
  Cl  Cl25  1  0.373  0.893  0.257  1.0
  Cl  Cl26  1  0.480  0.373  0.743  1.0
  Cl  Cl27  1  0.893  0.520  0.743  1.0
  Cl  Cl28  1  0.627  0.107  0.743  1.0
[/CIF]
.
The material structure described by (FeCl4)2Fe(NCH)6 is Indium-like structured and crystallizes in the trigonal P-3 space group. The structure is zero-dimensional and consists of two tetrachloroferrat(iii) molecules and one Fe(NCH)6 cluster. In the Fe(NCH)6 cluster, Fe(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. C(1) is bonded in a linear geometry to one N(1) and one H(1) atom. N(1) 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 C(1) atom. is represented by the CIF file [CIF]
data_Fe3H6C6(N3Cl4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.955
_cell_length_b   9.955
_cell_length_c   6.153
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   528.039
_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  0.000  0.000  1.0
  Fe  Fe1  1  0.333  0.667  0.141  1.0
  Fe  Fe2  1  0.667  0.333  0.859  1.0
  H  H3  1  0.086  0.390  0.650  1.0
  H  H4  1  0.304  0.914  0.650  1.0
  H  H5  1  0.610  0.696  0.650  1.0
  H  H6  1  0.914  0.610  0.350  1.0
  H  H7  1  0.696  0.086  0.350  1.0
  H  H8  1  0.390  0.304  0.350  1.0
  C  C9  1  0.063  0.285  0.735  1.0
  C  C10  1  0.222  0.937  0.735  1.0
  C  C11  1  0.715  0.778  0.735  1.0
  C  C12  1  0.937  0.715  0.265  1.0
  C  C13  1  0.778  0.063  0.265  1.0
  C  C14  1  0.285  0.222  0.265  1.0
  N  N15  1  0.039  0.174  0.827  1.0
  N  N16  1  0.135  0.961  0.827  1.0
  N  N17  1  0.826  0.865  0.827  1.0
  N  N18  1  0.961  0.826  0.173  1.0
  N  N19  1  0.865  0.039  0.173  1.0
  N  N20  1  0.174  0.135  0.173  1.0
  Cl  Cl21  1  0.333  0.667  0.781  1.0
  Cl  Cl22  1  0.667  0.333  0.219  1.0
  Cl  Cl23  1  0.520  0.627  0.257  1.0
  Cl  Cl24  1  0.107  0.480  0.257  1.0
  Cl  Cl25  1  0.373  0.893  0.257  1.0
  Cl  Cl26  1  0.480  0.373  0.743  1.0
  Cl  Cl27  1  0.893  0.520  0.743  1.0
  Cl  Cl28  1  0.627  0.107  0.743  1.0
[/CIF]
.