#------------------------------------------------------------------------------
#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/98/9009864.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_9009864
loop_
_publ_author_name
'Gabrielson, O.'
_publ_section_title
;
 The crystal structure of finnemanite Pb5Cl(AsO3)3
;
_journal_name_full               'Arkiv for Mineralogi och Geologi'
_journal_page_first              1
_journal_page_last               8
_journal_volume                  2
_journal_year                    1956
_chemical_compound_source        'Langban, Varmland, Sweden'
_chemical_formula_sum            'As3 Cl O9 Pb5'
_chemical_name_mineral           Finnemanite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.28
_cell_length_b                   10.28
_cell_length_c                   7
_cell_formula_units_Z            2
_cell_volume                     640.641
_database_code_amcsd             0012044
_exptl_crystal_density_diffrn    7.466
_cod_original_formula_sum        'Pb5 Cl As3 O9'
_cod_database_code               9009864
loop_
_space_group_symop_operation_xyz
x,y,z
x-y,x,1/2+z
-y,x-y,z
-x,-y,1/2+z
-x+y,-x,z
y,-x+y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb1 0.00000 0.00000 0.00000
Pb2 0.33333 0.66667 0.62000
Pb3 0.30000 0.40000 0.25000
Cl 0.33333 0.66667 0.12000
As 0.27000 0.37000 0.77000
O1 0.20500 0.17000 0.75000
O2 0.14500 0.44000 0.82000
O3 0.37500 0.44500 0.55000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012044
