The material structure described by Fe(CO)5 is alpha oxygen structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four Fe(CO)5 clusters. Fe(1) is bonded in a trigonal bipyramidal geometry to one C(1), one C(2), one C(3), one C(4), and one C(5) atom. There are five 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 linear geometry to one Fe(1) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one O(3) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(1) and one O(4) atom. In the fifth C site, C(5) is bonded in a linear geometry to one Fe(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one C(5) atom. In the second O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the fifth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. is represented by the CIF file [CIF]
data_Fe(CO)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.394
_cell_length_b   7.394
_cell_length_c   9.980
_cell_angle_alpha   72.871
_cell_angle_beta   72.871
_cell_angle_gamma   59.461
_symmetry_Int_Tables_number   1
_cell_volume   442.082
_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  0.167  0.833  0.498  1.0
  Fe  Fe1  1  0.833  0.167  0.998  1.0
  C  C2  1  0.412  0.747  0.345  1.0
  C  C3  1  0.747  0.412  0.845  1.0
  C  C4  1  0.288  0.982  0.570  1.0
  C  C5  1  0.982  0.288  0.070  1.0
  C  C6  1  0.210  0.615  0.668  1.0
  C  C7  1  0.615  0.210  0.168  1.0
  C  C8  1  0.042  0.691  0.428  1.0
  C  C9  1  0.691  0.042  0.928  1.0
  C  C10  1  0.893  0.114  0.487  1.0
  C  C11  1  0.114  0.893  0.987  1.0
  O  O12  1  0.541  0.712  0.243  1.0
  O  O13  1  0.712  0.541  0.743  1.0
  O  O14  1  0.348  0.072  0.608  1.0
  O  O15  1  0.072  0.348  0.108  1.0
  O  O16  1  0.215  0.494  0.774  1.0
  O  O17  1  0.494  0.215  0.274  1.0
  O  O18  1  0.976  0.607  0.389  1.0
  O  O19  1  0.607  0.976  0.889  1.0
  O  O20  1  0.738  0.272  0.483  1.0
  O  O21  1  0.272  0.738  0.983  1.0
[/CIF]
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The material structure described by Fe(CO)5 is alpha oxygen structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four Fe(CO)5 clusters. Fe(1) is bonded in a trigonal bipyramidal geometry to one C(1), one C(2), one C(3), one C(4), and one C(5) atom. There are five 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 linear geometry to one Fe(1) and one O(2) atom. In the third C site, C(3) is bonded in a linear geometry to one Fe(1) and one O(3) atom. In the fourth C site, C(4) is bonded in a linear geometry to one Fe(1) and one O(4) atom. In the fifth C site, C(5) is bonded in a linear geometry to one Fe(1) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one C(5) atom. In the second O site, O(1) is bonded in a single-bond geometry to one C(1) atom. In the third O site, O(2) is bonded in a single-bond geometry to one C(2) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one C(3) atom. In the fifth O site, O(4) is bonded in a single-bond geometry to one C(4) atom. is represented by the CIF file [CIF]
data_Fe(CO)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.394
_cell_length_b   7.394
_cell_length_c   9.980
_cell_angle_alpha   72.871
_cell_angle_beta   72.871
_cell_angle_gamma   59.461
_symmetry_Int_Tables_number   1
_cell_volume   442.082
_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  0.167  0.833  0.498  1.0
  Fe  Fe1  1  0.833  0.167  0.998  1.0
  C  C2  1  0.412  0.747  0.345  1.0
  C  C3  1  0.747  0.412  0.845  1.0
  C  C4  1  0.288  0.982  0.570  1.0
  C  C5  1  0.982  0.288  0.070  1.0
  C  C6  1  0.210  0.615  0.668  1.0
  C  C7  1  0.615  0.210  0.168  1.0
  C  C8  1  0.042  0.691  0.428  1.0
  C  C9  1  0.691  0.042  0.928  1.0
  C  C10  1  0.893  0.114  0.487  1.0
  C  C11  1  0.114  0.893  0.987  1.0
  O  O12  1  0.541  0.712  0.243  1.0
  O  O13  1  0.712  0.541  0.743  1.0
  O  O14  1  0.348  0.072  0.608  1.0
  O  O15  1  0.072  0.348  0.108  1.0
  O  O16  1  0.215  0.494  0.774  1.0
  O  O17  1  0.494  0.215  0.274  1.0
  O  O18  1  0.976  0.607  0.389  1.0
  O  O19  1  0.607  0.976  0.889  1.0
  O  O20  1  0.738  0.272  0.483  1.0
  O  O21  1  0.272  0.738  0.983  1.0
[/CIF]
.