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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/77/9007705.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_9007705
loop_
_publ_author_name
'Dubler, E.'
'Vedani, A.'
'Oswald, H. R.'
_publ_section_title
;
 New structure determination of murdochite, Cu6PbO8
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1143
_journal_page_last               1146
_journal_paper_doi               10.1107/S0108270183007702
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        'Hansonburg mining district, New Mexico, USA'
_chemical_formula_sum            'Br0.36 Cl0.64 Cu6 O7.52 Pb'
_chemical_name_mineral           Murdochite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.224
_cell_length_b                   9.224
_cell_length_c                   9.224
_cell_formula_units_Z            4
_cell_volume                     784.798
_database_code_amcsd             0009981
_exptl_crystal_density_diffrn    6.434
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb Cu6 O7.52 (Cl.64 Br.36)'
_cod_database_code               9007705
loop_
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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 0.00000 0.00000 0.00000 1.00000 0.00650
Cu 0.25000 0.25000 0.00000 1.00000 ?
O 0.14290 0.14290 0.14290 0.94000 ?
Cl 0.50000 0.50000 0.50000 0.64000 0.04800
Br 0.50000 0.50000 0.50000 0.36000 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009981
