#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004592.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_9004592
_chemical_name '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
;
_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
_symmetry_space_group_name_H-M 'P m -3 m'
loop_
_symmetry_equiv_pos_as_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_Uiso_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