#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/73/9017327.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_9017327
loop_
_publ_author_name
'Baikie, T.'
'Ferraris, C.'
'Klooster, W. T.'
'Madhavi, S.'
'Pramana, S. S.'
'Pring, A.'
'Schmidt, G.'
'White, T. J.'
_publ_section_title
;
 Crystal chemistry of mimetite, Pb10(AsO4)6Cl1.48O0.26, and finnemanite, Pb10(AsO3)6Cl2
 Note: T = 298 K
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              34
_journal_page_last               41
_journal_volume                  64
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3 Cl0.74 O12.13 Pb5'
_chemical_name_mineral           Mimetite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.2055
_cell_length_b                   10.2055
_cell_length_c                   7.4483
_cell_formula_units_Z            2
_cell_volume                     671.825
_database_code_amcsd             0020320
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    7.321
_cod_data_source_file            inputs/fixed/downloads/11/11575.cif
_cod_data_source_block           11575
_cod_original_formula_sum        'Pb5 As3 O12.13 Cl.74'
_cod_database_code               9017327
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_occupancy
_atom_site_U_iso_or_equiv
Pb1 0.33333 0.66667 0.00730 1.00000 0.01646
Pb2 0.24910 0.00270 0.25000 1.00000 0.01773
As1 0.40600 0.38220 0.25000 1.00000 0.01520
O1 0.32680 0.49320 0.25000 1.00000 0.02153
O2 0.59650 0.48510 0.21930 0.50000 0.02406
O3b 0.38470 0.29530 0.05010 1.00000 0.02026
O4 0.00000 0.00000 0.25000 0.13000 0.03166
Cl1 0.00000 0.00000 0.00000 0.74000 0.01900
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020320
