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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/98/9009867.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_9009867
loop_
_publ_author_name
'Effenberger, H.'
'Pertlik, F.'
_publ_section_title
;
 Der strukturtyp von finnemanit, Pb5Cl(AsO3)3
;
_journal_name_full
'Anzeiger der Osterreichische Akademie der Wissenschaften'
_journal_page_first              209
_journal_page_last               211
_journal_volume                  114
_journal_year                    1977
_chemical_compound_source        'Langban, Varmland, Sweden'
_chemical_formula_sum            'As3 Cl O9 Pb5'
_chemical_name_mineral           Finnemanite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.322
_cell_length_b                   10.322
_cell_length_c                   7.054
_cell_volume                     650.869
_database_code_amcsd             0012024
_exptl_crystal_density_diffrn    7.349
_cod_original_formula_sum        'Pb5 Cl As3 O9'
_cod_database_code               9009867
loop_
_space_group_symop_operation_xyz
x,y,z
-x+y,-x,1/2-z
x-y,x,1/2+z
y,-x+y,-z
-y,x-y,z
x,y,1/2-z
-x,-y,1/2+z
x-y,x,-z
-x+y,-x,z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x,-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 0.33333 0.66667 0.98980 0.02254
Pb2 0.26440 0.03630 0.25000 0.01381
Cl 0.00000 0.00000 0.00000 0.01191
As 0.41360 0.40070 0.25000 0.01102
O1 0.62000 0.46800 0.25000 0.01102
O2 0.36800 0.27800 0.06300 0.01406