data_global
_amcsd_formula_title 'Fe2C9O9'
loop_
_publ_author_name
'Powell H'
'Ewens R'
_journal_name_full 'Journal of the Chemical Society'
_journal_volume 1939 
_journal_year 1939
_journal_page_first 286
_journal_page_last 292
_publ_section_title
;
 The crystal structure of iron enneacarbonyl
 _cod_database_code 1010480
;
_database_code_amcsd 0017396
_chemical_formula_sum 'Fe2 C9 O9'
_cell_length_a 6.45
_cell_length_b 6.45
_cell_length_c 15.98
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 575.740
_exptl_crystal_density_diffrn      2.098
_symmetry_space_group_name_H-M 'P 63/m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x+y,-x,1/2-z'
  'x-y,x,1/2+z'
  'y,-x+y,-z'
  '-y,x-y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  'x-y,x,-z'
  '-x+y,-x,z'
  '-y,x-y,1/2-z'
  'y,-x+y,1/2+z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe   0.33333   0.66667   0.17300
C1   0.32000   0.86000   0.25000
O1   0.31500   0.05500   0.25000
C2   0.35000   0.43000   0.11000
O2   0.36000   0.28500   0.07000