#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/98/9009824.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_9009824
loop_
_publ_author_name
'Pertlik, F.'
_publ_section_title
;
 The structure of freedite, Pb8Cu(AsO3)2O3Cl5
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              85
_journal_page_last               92
_journal_paper_doi               10.1007/BF01164482
_journal_volume                  36
_journal_year                    1987
_chemical_compound_source        'Langban mine, Varmland, Sweden'
_chemical_formula_sum            'As2 Cl5 Cu O9 Pb8'
_chemical_name_mineral           Freedite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.73
_cell_angle_gamma                90
_cell_length_a                   13.578
_cell_length_b                   20.099
_cell_length_c                   7.465
_cell_formula_units_Z            4
_cell_volume                     1960.936
_database_code_amcsd             0014613
_exptl_crystal_density_diffrn    7.426
_cod_original_formula_sum        'Pb8 As2 Cu Cl5 O9'
_cod_database_code               9009824
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pb1 0.85280 0.00000 0.43460 ?
Pb2 0.85870 0.00000 0.93340 ?
Pb3 0.63380 0.90260 0.08360 ?
Pb4 0.85030 0.20370 0.41930 ?
Pb5 0.85650 0.20180 0.93170 ?
As 0.32990 0.11200 0.41980 ?
Cu 0.00000 0.42190 0.50000 ?
Cl1 0.48850 0.00000 0.74280 0.00300
Cl2 0.50740 0.20690 0.73770 0.04000
Cl3 0.02690 0.09670 0.25570 0.01600
O1 0.71900 0.19460 0.60190 0.03000
O2 0.74400 0.09160 0.42420 0.02900
O3 0.74070 0.08220 0.80170 0.03000
O4 0.75340 0.30450 0.86430 0.00500
O5 0.76060 0.00000 0.12110 0.00900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014613
