#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/45/9004592.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9004592
loop_
_publ_author_name
'Cooper, M. A.'
'Hawthorne, F. C.'
_publ_section_title
;
 Boleite: Resolution of the formula, KPb26Ag9Cu24Cl62(OH)48
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              801
_journal_page_last               808
_journal_paper_doi               10.2113/gscanmin.38.4.801
_journal_volume                  38
_journal_year                    2000
_chemical_formula_sum            'Ag9 Cl62 Cu24 H48 K O48 Pb26'
_chemical_name_mineral           Boleite
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.288
_cell_length_b                   15.288
_cell_length_c                   15.288
_cell_formula_units_Z            1
_cell_volume                     3573.156
_database_code_amcsd             0005684
_exptl_crystal_density_diffrn    5.083
_cod_original_formula_sum        'K Pb26 Ag9 Cu24 Cl62 O48 H48'
_cod_database_code               9004592
loop_
_space_group_symop_operation_xyz
x,y,z
z,-x,y
-y,z,-x
x,-y,z
-z,x,-y
y,-z,x
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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
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z,x,-y
-y,-z,x
x,y,-z
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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
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x,-z,y
-z,y,-x
y,-x,z
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z,y,-x
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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_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0005684
