#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/08/9010811.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_9010811
loop_
_publ_author_name
'Laufek, F.'
'Pazout, R.'
'Makovicky, E.'
_publ_section_title
;
 Crystal structure of owyheeite, Ag1.5Pb4.43Sb6.07S14: refinement from powder
 synchrotron X-ray diffraction
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              557
_journal_page_last               566
_journal_paper_doi               10.1127/0935-1221/2007/0019-1740
_journal_volume                  19
_journal_year                    2007
_chemical_compound_source        'Kutna Hora, central Bohemia, Czech Republic'
_chemical_formula_sum            'Ag1.5 Pb4.43 S14 Sb6.07'
_chemical_name_mineral           Owyheeite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.359
_cell_angle_gamma                90
_cell_length_a                   4.1035
_cell_length_b                   27.3144
_cell_length_c                   22.9366
_cell_formula_units_Z            4
_cell_volume                     2570.790
_database_code_amcsd             0007225
_exptl_crystal_density_diffrn    5.859
_cod_original_formula_sum        'Ag1.5 Pb4.43 Sb6.07 S14'
_cod_database_code               9010811
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+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
Ag1 0.73520 0.16620 0.05900 1.00000 0.04900
Pb1 0.27360 0.86100 0.36660 1.00000 0.05000
Pb2 0.73060 0.21520 0.47500 1.00000 0.05000
Pb3 0.72650 0.29890 0.31690 1.00000 0.05000
Pb4 0.28960 0.95900 0.21290 1.00000 0.05000
Pb5 0.22490 0.07680 0.48820 0.43000 0.05000
Sb5 0.22490 0.07680 0.48820 0.57000 0.05000
Sb1 0.75970 0.00560 0.36560 1.00000 0.04820
Sb2 0.23110 0.15810 0.33530 0.50000 0.04820
Ag2 0.23110 0.15810 0.33530 0.50000 0.04820
Sb3 0.22110 0.22770 0.17210 1.00000 0.04820
Sb4 0.20960 0.10740 0.93770 1.00000 0.04820
Sb6 0.79720 0.03790 0.07560 1.00000 0.04820
Sb7 0.32080 0.10370 0.20260 1.00000 0.04820
S1 0.21740 0.23650 0.38040 1.00000 0.04420
S2 0.21020 0.15680 0.54350 1.00000 0.04420
S3 0.73520 0.92870 0.31030 1.00000 0.04420
S4 0.74720 0.03860 0.18260 1.00000 0.04420
S5 0.19160 0.12680 0.83380 1.00000 0.04420
S6 0.26490 0.30850 0.22010 1.00000 0.04420
S7 0.73030 0.25690 0.09910 1.00000 0.04420
S8 0.75760 0.04480 0.55580 1.00000 0.04420
S9 0.68470 0.12350 0.40940 1.00000 0.04420
S10 0.27130 0.03610 0.30410 1.00000 0.04420
S11 0.23490 0.97410 0.07650 1.00000 0.04420
S12 0.78580 0.17020 0.95390 1.00000 0.04420
S13 0.24370 0.11410 0.09230 1.00000 0.04420
S14 0.75510 0.18460 0.25650 1.00000 0.04420
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007225
