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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/17/9011730.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_9011730
loop_
_publ_author_name
'Makovicky, E.'
'Mumme, W. G.'
_publ_section_title
;
 The crystal structure of ramdohrite, Pb6Sb11Ag3S24, and its implications for
 the andorite group and zinckenite
 Note: changed S12(z) to match reported bond distances
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              58
_journal_page_last               79
_journal_volume                  147
_journal_year                    1983
_chemical_compound_source        'Chocaya Mine, Potosi, Bolivia'
_chemical_formula_sum            'Ag1.5 Pb3 S12 Sb5.5'
_chemical_name_mineral           Ramdohrite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.28
_cell_angle_gamma                90
_cell_length_a                   19.24
_cell_length_b                   13.08
_cell_length_c                   8.73
_cell_formula_units_Z            4
_cell_volume                     2196.959
_database_code_amcsd             0014713
_exptl_crystal_density_diffrn    5.556
_cod_original_cell_volume        2196.958
_cod_original_formula_sum        'Sb5.5 Pb3 Ag1.5 S12'
_cod_database_code               9011730
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2-y,1/2+z
1/2-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
SbM1 0.15010 0.37290 0.13920 1.00000 ?
SbM2 0.05700 0.62270 0.12810 1.00000 ?
PbM3 0.25020 0.58320 0.39900 1.00000 ?
AgM4 0.35790 0.32390 0.12000 1.00000 ?
PbM5 0.45080 0.60970 0.12980 1.00000 ?
SbM6 0.12750 0.35440 0.62070 1.00000 ?
SbM7 0.05300 0.63490 0.63730 1.00000 ?
PbM8 0.24500 0.59880 0.89020 1.00000 ?
SbM9 0.37080 0.35120 0.61870 0.50000 ?
AgM9 0.37080 0.35120 0.61870 0.50000 ?
SbM10 0.44810 0.62200 0.64390 1.00000 ?
S1 0.10660 0.49800 0.34630 1.00000 0.02748
S2 -0.00150 0.26540 0.14140 1.00000 0.03040
S3 0.27200 0.45190 0.14500 1.00000 0.02634
S4 0.16190 0.72250 0.11170 1.00000 0.02254
S5 0.39800 0.52000 0.41760 1.00000 0.03926
S6 0.33130 0.74030 0.08180 1.00000 0.03521
S7 0.09900 0.50150 0.91560 1.00000 0.02470
S8 0.48600 0.25600 0.09190 1.00000 0.03166
S9 0.24120 0.43830 0.63710 1.00000 0.01684
S10 0.17120 0.71050 0.64540 1.00000 0.02343
S11 0.41130 0.50030 0.85010 1.00000 0.03458
S12 0.33860 0.72650 0.66590 1.00000 0.03318
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014713
