data_global
_chemical_name_mineral 'Corkite'
loop_
_publ_author_name
'Giuseppe G'
'Tadini C'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1987 
_journal_year 1987
_journal_page_first 71
_journal_page_last 81
_publ_section_title
;
 Corkite, PbFe3(SO4)(PO4)(OH)6, its crystal structure and ordered
 arrangement of the tetrahedral cations
 Note: this is not the prefered structure of these authors
;
_database_code_amcsd 0014811
_chemical_compound_source 'Dernbach, Hessen-Nassau, Germany'
_chemical_formula_sum 'Pb Fe3 (S P) O14 H6'
_cell_length_a 7.280
_cell_length_b 7.280
_cell_length_c 16.821
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 772.050
_exptl_crystal_density_diffrn      4.309
_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
_atom_site_U_iso_or_equiv
Pb   0.00000   0.00000   0.00000   1.00000   0.05104
Fe   0.50000   0.00000   0.50000   1.00000   0.01089
S   0.00000   0.00000   0.31220   0.50000   0.00950
P   0.00000   0.00000   0.31220   0.50000   0.00950
O1   0.00000   0.00000   0.40110   1.00000   0.01292
O2   0.22040  -0.22040  -0.05300   1.00000   0.01456
O-h   0.12630  -0.12630   0.13160   1.00000   0.01254
H   0.18100  -0.18100   0.11700   1.00000   0.03800
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
Pb 0.06967 0.06967 0.01433 0.03484 0.00000 0.00000
Fe 0.00906 0.00846 0.01433 0.00383 0.00054 0.00161
S 0.00906 0.00906 0.01003 0.00463 0.00000 0.00000
P 0.00906 0.00906 0.11037 0.00463 0.00000 0.00000
O1 0.01389 0.01389 0.01147 0.00685 0.00000 0.00000
O2 0.01671 0.01671 0.01433 0.01087 -0.00107 0.00107
O-h 0.01148 0.01148 0.01577 0.00665 0.00161 -0.00161