The structure described by Fe2(CO)9 is Indium-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two Fe2(CO)9 clusters. Fe(1) is bonded to three equivalent C(1) and three equivalent C(2) atoms to form face-sharing FeC6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to two equivalent Fe(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF file [CIF]
data_Fe2(CO)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.447
_cell_length_c   16.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   580.875
_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  0.667  0.333  0.828  1.0
  Fe  Fe1  1  0.333  0.667  0.328  1.0
  Fe  Fe2  1  0.333  0.667  0.172  1.0
  Fe  Fe3  1  0.667  0.333  0.672  1.0
  C  C4  1  0.662  0.573  0.886  1.0
  C  C5  1  0.662  0.573  0.614  1.0
  C  C6  1  0.338  0.427  0.386  1.0
  C  C7  1  0.911  0.338  0.614  1.0
  C  C8  1  0.089  0.662  0.114  1.0
  C  C9  1  0.089  0.662  0.386  1.0
  C  C10  1  0.332  0.908  0.250  1.0
  C  C11  1  0.576  0.668  0.250  1.0
  C  C12  1  0.668  0.092  0.750  1.0
  C  C13  1  0.573  0.911  0.386  1.0
  C  C14  1  0.573  0.911  0.114  1.0
  C  C15  1  0.908  0.576  0.750  1.0
  C  C16  1  0.911  0.338  0.886  1.0
  C  C17  1  0.338  0.427  0.114  1.0
  C  C18  1  0.427  0.089  0.614  1.0
  C  C19  1  0.427  0.089  0.886  1.0
  C  C20  1  0.092  0.424  0.250  1.0
  C  C21  1  0.424  0.332  0.750  1.0
  O  O22  1  0.344  0.280  0.074  1.0
  O  O23  1  0.241  0.331  0.750  1.0
  O  O24  1  0.064  0.344  0.574  1.0
  O  O25  1  0.090  0.759  0.750  1.0
  O  O26  1  0.910  0.241  0.250  1.0
  O  O27  1  0.936  0.656  0.074  1.0
  O  O28  1  0.656  0.720  0.926  1.0
  O  O29  1  0.720  0.064  0.426  1.0
  O  O30  1  0.280  0.936  0.574  1.0
  O  O31  1  0.344  0.280  0.426  1.0
  O  O32  1  0.669  0.910  0.750  1.0
  O  O33  1  0.280  0.936  0.926  1.0
  O  O34  1  0.656  0.720  0.574  1.0
  O  O35  1  0.936  0.656  0.426  1.0
  O  O36  1  0.720  0.064  0.074  1.0
  O  O37  1  0.064  0.344  0.926  1.0
  O  O38  1  0.331  0.090  0.250  1.0
  O  O39  1  0.759  0.669  0.250  1.0
[/CIF]
.
The structure described by Fe2(CO)9 is Indium-like structured and crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of two Fe2(CO)9 clusters. Fe(1) is bonded to three equivalent C(1) and three equivalent C(2) atoms to form face-sharing FeC6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Fe(1) and one O(1) atom. In the second C site, C(2) is bonded in a distorted single-bond geometry to two equivalent Fe(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF file [CIF]
data_Fe2(CO)9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.447
_cell_length_b   6.447
_cell_length_c   16.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   580.875
_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  0.667  0.333  0.828  1.0
  Fe  Fe1  1  0.333  0.667  0.328  1.0
  Fe  Fe2  1  0.333  0.667  0.172  1.0
  Fe  Fe3  1  0.667  0.333  0.672  1.0
  C  C4  1  0.662  0.573  0.886  1.0
  C  C5  1  0.662  0.573  0.614  1.0
  C  C6  1  0.338  0.427  0.386  1.0
  C  C7  1  0.911  0.338  0.614  1.0
  C  C8  1  0.089  0.662  0.114  1.0
  C  C9  1  0.089  0.662  0.386  1.0
  C  C10  1  0.332  0.908  0.250  1.0
  C  C11  1  0.576  0.668  0.250  1.0
  C  C12  1  0.668  0.092  0.750  1.0
  C  C13  1  0.573  0.911  0.386  1.0
  C  C14  1  0.573  0.911  0.114  1.0
  C  C15  1  0.908  0.576  0.750  1.0
  C  C16  1  0.911  0.338  0.886  1.0
  C  C17  1  0.338  0.427  0.114  1.0
  C  C18  1  0.427  0.089  0.614  1.0
  C  C19  1  0.427  0.089  0.886  1.0
  C  C20  1  0.092  0.424  0.250  1.0
  C  C21  1  0.424  0.332  0.750  1.0
  O  O22  1  0.344  0.280  0.074  1.0
  O  O23  1  0.241  0.331  0.750  1.0
  O  O24  1  0.064  0.344  0.574  1.0
  O  O25  1  0.090  0.759  0.750  1.0
  O  O26  1  0.910  0.241  0.250  1.0
  O  O27  1  0.936  0.656  0.074  1.0
  O  O28  1  0.656  0.720  0.926  1.0
  O  O29  1  0.720  0.064  0.426  1.0
  O  O30  1  0.280  0.936  0.574  1.0
  O  O31  1  0.344  0.280  0.426  1.0
  O  O32  1  0.669  0.910  0.750  1.0
  O  O33  1  0.280  0.936  0.926  1.0
  O  O34  1  0.656  0.720  0.574  1.0
  O  O35  1  0.936  0.656  0.426  1.0
  O  O36  1  0.720  0.064  0.074  1.0
  O  O37  1  0.064  0.344  0.926  1.0
  O  O38  1  0.331  0.090  0.250  1.0
  O  O39  1  0.759  0.669  0.250  1.0
[/CIF]
.