#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/48/9014822.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_9014822
loop_
_publ_author_name
'Nespolo, M.'
'Ozawa, T.'
'Kawasaki, Y.'
'Sugiyama, K.'
_publ_section_title
;
 Structural relations and pseudosymmetries in the andorite homologous series
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              226
_journal_page_last               243
_journal_paper_doi               10.2465/jmps.120730
_journal_volume                  107
_journal_year                    2012
_chemical_compound_source        'Oura mine, San Jose, Bolivia'
_chemical_formula_sum            'Ag Pb S6 Sb3'
_chemical_name_mineral           'Andorite IV'
_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                 90.008
_cell_angle_gamma                90
_cell_length_a                   19.1686
_cell_length_b                   17.160
_cell_length_c                   13.042
_cell_formula_units_Z            16
_cell_volume                     4289.946
_database_code_amcsd             0019736
_exptl_crystal_density_diffrn    5.405
_cod_original_cell_volume        4289.947
_cod_original_formula_sum        'Ag Pb Sb3 S6'
_cod_database_code               9014822
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_U_iso_or_equiv
Ag1 0.35709 0.81311 0.84948 0.03080
Ag2 0.14280 0.17732 0.33615 0.06180
Ag3 0.35640 0.05251 0.82640 0.05630
Ag4 0.13216 0.93297 0.33294 0.04840
Pb1 0.24276 0.82487 0.57335 0.02370
Pb2 0.25023 0.30831 0.60330 0.03200
Pb3 0.25544 0.06872 0.58827 0.02820
Pb4 0.24888 0.93783 0.08883 0.03240
Sb1 0.12058 0.68987 0.34641 0.01630
Sb2 0.95572 0.30075 0.38704 0.01680
Sb3 0.44664 0.81586 0.12447 0.01640
Sb4 0.44792 0.18462 0.62519 0.01680
Sb5 0.05798 0.32777 0.13344 0.01510
Sb6 0.36327 0.19028 0.37208 0.01750
Sb7 0.14971 0.06736 0.87612 0.01810
Sb8 0.06031 0.06498 0.12385 0.01610
Sb9 0.37354 0.93441 0.35266 0.01790
Sb10 0.44131 0.92230 0.63262 0.02050
Sb11 0.04508 0.56303 0.11976 0.01610
Sb12 0.54567 0.94662 0.88204 0.02210
S1 0.39950 0.70240 0.02440 0.02090
S2 0.01590 0.19990 0.29320 0.01730
S3 0.10610 0.16920 0.00710 0.01750
S4 0.15480 0.79290 0.21710 0.01780
S5 0.09400 0.64880 0.99120 0.01880
S6 0.49580 0.83600 0.76530 0.02280
S7 0.17130 0.31290 0.21920 0.02150
S8 0.23360 0.69010 0.43550 0.02250
S9 0.40830 0.28820 0.50530 0.02150
S10 0.34150 0.18530 0.72760 0.02160
S11 0.24410 0.19530 0.45070 0.02160
S12 0.34050 0.82250 0.23870 0.02120
S13 0.09730 0.96240 0.00330 0.01740
S14 0.00310 0.40870 0.27280 0.01850
S115 0.34400 0.04030 0.22720 0.02020
S116 0.09770 0.44190 0.02800 0.01750
S117 0.15270 0.57680 0.23300 0.01680
S118 0.48240 0.04210 0.78100 0.02570
S119 0.25820 0.94460 0.42780 0.01910
S120 0.40100 0.91140 0.00310 0.02310
S121 0.40330 0.08150 0.50840 0.02070
S122 0.16370 0.05360 0.22780 0.01860
S123 0.26790 0.06330 0.95770 0.02670
S124 0.32850 0.92970 0.71440 0.02130
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019736
