data_global
_chemical_name_mineral 'Kintoreite'
loop_
_publ_author_name
'Grey I E'
'Mumme W G'
'Mills S J'
'Birch W D'
'Wilson N C'
_journal_name_full 'American Mineralogist'
_journal_volume 94 
_journal_year 2009
_journal_page_first 676
_journal_page_last 683
_publ_section_title
;
 The crystal chemical role of Zn in alunite-type minerals:
 Structure refinements for kintoreite and zincian kintoreite
;
_database_code_amcsd 0004932
_chemical_compound_source 'Kintore mine at Broken Hill, New South Wales'
_chemical_formula_sum 'Pb Fe3 Zn.31 P1.08 S.16 As.766 O14 H6'
_cell_length_a 7.3789
_cell_length_b 7.3789
_cell_length_c 16.8552
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 794.782
_exptl_crystal_density_diffrn      4.519
_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   0.06300   0.00000   0.00000   0.16667   0.03130
Fe   0.50000   0.00000   0.50000   1.00000   0.01330
Zn   0.06530  -0.06530   0.49540   0.05170   0.02500
PX   0.00000   0.00000   0.31364   0.54000   0.01020
SX   0.00000   0.00000   0.31364   0.08000   0.01020
AsX   0.00000   0.00000   0.31364   0.38300   0.01020
O1   0.00000   0.00000   0.59370   1.00000   0.02400
O2   0.21580  -0.21580  -0.05340   1.00000   0.01930
O-H3   0.12720  -0.12720   0.13300   1.00000   0.01530