data_global
_chemical_name_mineral 'Fougerite'
loop_
_publ_author_name
'Trolard F'
'Bourrie G'
'Abdelmoula M'
'Refait P'
'Feder F'
_journal_name_full 'Clays and Clay Minerals'
_journal_volume 55 
_journal_year 2007
_journal_page_first 323
_journal_page_last 334
_publ_section_title
;
 Fougerite, a new mineral of the pyroaurite-iowaite group: Description and
 crystal structure
;
_database_code_amcsd 0012240
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Fe O2.25 Cl.5 H2.75'
_cell_length_a 3.190
_cell_length_b 3.190
_cell_length_c 23.85
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 210.184
_exptl_crystal_density_diffrn      2.663
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe   0.00000   0.00000   0.00000   1.00000
O-H   0.00000   0.00000   0.37500   0.87500
Wat   0.10000   0.10000   0.50000   0.08333
Cl   0.25000   0.25000   0.50000   0.08333
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Fe 0.00900 0.00900 0.02500 0.00450 0.00000 0.00000
O-H 0.01400 0.01400 0.06000 0.00700 0.00000 0.00000
Wat 0.15000 0.15000 0.08000 0.10000 -0.02000 0.02000
Cl 0.30000 0.30000 0.08000 0.10000 -0.02000 0.02000