#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/18/9011819.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_9011819
loop_
_publ_author_name
'Bonaccorsi, E.'
'Pasero, M.'
_publ_section_title
;
 Crystal structure refinement of sahlinite, Pb14(AsO4)2O9Cl4
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              15
_journal_page_last               21
_journal_paper_doi               10.1180/0026461036710080
_journal_volume                  67
_journal_year                    2003
_chemical_compound_source        'Langban, Sweden'
_chemical_formula_sum            'As2 Cl4 O17 Pb14'
_chemical_name_mineral           Sahlinite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.37
_cell_angle_gamma                90
_cell_length_a                   12.704
_cell_length_b                   22.576
_cell_length_c                   11.287
_cell_formula_units_Z            4
_cell_volume                     2848.381
_database_code_amcsd             0014564
_exptl_crystal_density_diffrn    8.079
_cod_original_formula_sum        'Pb14 As2 Cl4 O17'
_cod_database_code               9011819
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-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
Pb1 0.11429 0.08398 0.18224
Pb2 0.36895 0.08654 0.07549
Pb3 0.12639 0.42056 0.45084
Pb4 0.37823 0.41754 0.30760
Pb5 0.35314 0.19520 0.29905
Pb6 0.12256 0.19867 0.42339
Pb7 0.39927 0.30312 0.06056
As 0.13640 0.32136 0.17760
Cl1 0.37390 0.50000 0.06230
Cl2 0.37980 0.01440 0.30880
O1 0.23600 0.14350 0.11100
O2 0.25500 0.13730 0.38100
O3 0.47300 0.35750 0.48600
O4 0.01300 0.35310 0.04700
O5 0.25200 0.33960 0.14500
O6 0.00000 0.14560 0.25000
O7 0.50000 0.14290 0.25000
O8 0.50000 0.36740 0.25000
O9 0.17400 0.35150 0.32900
O10 0.12200 0.24900 0.18100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014564
