#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004182.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9004182
_chemical_name 'Plumbojarosite'
loop_
_publ_author_name
'Szymanski J T'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 23
_journal_year 1985
_journal_page_first 659
_journal_page_last 668
_publ_section_title
;
 The crystal structure of plumbojarosite Pb[Fe3(SO4)2(OH)6]2
;
_chemical_formula_sum 'Pb S2 Fe3 O14 H6'
_cell_length_a 7.3055
_cell_length_b 7.3055
_cell_length_c 33.675
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1556.460
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_symmetry_equiv_pos_as_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
Pb1   0.00000   0.00000   0.00000
Pb2   0.00000   0.00000   0.50000
S1   0.00000   0.00000   0.15605
S2   0.00000   0.00000   0.65456
Fe   0.16457   0.32914   0.08228
O1   0.00000   0.00000   0.19934
O2   0.22315   0.44630   0.02688
O3   0.13053   0.26106  -0.06940
O4   0.00000   0.00000   0.69971
O5   0.22315   0.44630   0.52569
O6   0.12303   0.24606   0.43485
H1   0.17000   0.34000  -0.05200
H2   0.18030   0.36060   0.44300