data_global
_chemical_name_mineral 'Boleite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 38 
_journal_year 2000
_journal_page_first 801
_journal_page_last 808
_publ_section_title
;
 Boleite: Resolution of the formula, KPb26Ag9Cu24Cl62(OH)48
;
_database_code_amcsd 0005684
_chemical_formula_sum 'K Pb26 Ag9 Cu24 Cl62 O48 H48'
_cell_length_a 15.288
_cell_length_b 15.288
_cell_length_c 15.288
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3573.156
_exptl_crystal_density_diffrn      5.083
_symmetry_space_group_name_H-M 'P m -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'z,-x,y'
  '-y,z,-x'
  'x,-y,z'
  '-z,x,-y'
  'y,-z,x'
  '-x,y,-z'
  'x,-z,-y'
  '-z,y,x'
  'y,-x,-z'
  '-x,z,y'
  'z,-y,-x'
  '-y,x,z'
  'x,z,y'
  '-z,-y,-x'
  'y,x,z'
  '-x,-z,-y'
  'z,y,x'
  '-y,-x,-z'
  'z,x,-y'
  '-y,-z,x'
  'x,y,-z'
  '-z,-x,y'
  'y,z,-x'
  '-x,-y,z'
  '-z,x,y'
  'y,-z,-x'
  '-x,y,z'
  'z,-x,-y'
  '-y,z,x'
  'x,-y,-z'
  '-x,z,-y'
  'z,-y,x'
  '-y,x,-z'
  'x,-z,y'
  '-z,y,-x'
  'y,-x,z'
  '-x,-z,y'
  'z,y,-x'
  '-y,-x,z'
  'x,z,-y'
  '-z,-y,x'
  'y,x,-z'
  '-z,-x,-y'
  'y,z,x'
  '-x,-y,-z'
  'z,x,y'
  '-y,-z,-x'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K   0.50000   0.50000   0.50000   0.04780
Pb(1)   0.22633   0.50000   0.50000   0.02120
Pb(2)   0.30301   0.30301   0.30301   0.01730
Pb(3)   0.27356   0.50000   0.00000   0.02340
Ag(1)   0.00000   0.15730   0.00000   0.03260
Ag(2)   0.00000   0.50000   0.00000   0.03930
Cu   0.25567   0.25567   0.09458   0.01270
Cl(1)   0.12220   0.12220   0.12220   0.02970
Cl(2)   0.38480   0.38480   0.12100   0.02150
Cl(3)   0.00000   0.32960   0.00000   0.02340
Cl(4)   0.13160   0.50000   0.13160   0.01980
Cl(5)   0.33060   0.50000   0.33060   0.03260
O(1)   0.00000   0.33020   0.21040   0.01410
O(2)   0.18800   0.18800   0.31190   0.01760
H(1)   0.00000   0.33900   0.14700   0.02720
H(2)   0.16200   0.16200   0.36400   0.05110
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
K 0.04780 0.04780 0.04780 0.00000 0.00000 0.00000
Pb(1) 0.01970 0.02190 0.02190 0.00000 0.00000 0.00000
Pb(2) 0.01730 0.01730 0.01730 -0.00230 -0.00230 -0.00230
Pb(3) 0.01820 0.03450 0.01740 0.00000 0.00000 0.00000
Ag(1) 0.03080 0.03620 0.03080 0.00000 0.00000 0.00000
Ag(2) 0.04570 0.02650 0.04570 0.00000 0.00000 0.00000
Cu 0.01420 0.01420 0.00970 0.00300 0.00100 0.00100
Cl(1) 0.02970 0.02970 0.02970 -0.00580 -0.00580 -0.00580
Cl(2) 0.02090 0.02090 0.02270 -0.00340 -0.00330 -0.00330
Cl(3) 0.02430 0.02180 0.02430 0.00000 0.00000 0.00000
Cl(4) 0.02250 0.01430 0.02250 0.00000 0.00620 0.00000
Cl(5) 0.03900 0.01990 0.03900 0.00000 0.01950 0.00000
O(1) 0.01490 0.01460 0.01270 0.00000 0.00000 0.00360
O(2) 0.01740 0.01740 0.01810 0.00320 0.00460 0.00460