#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/66/9016616.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_9016616
loop_
_publ_author_name
'Bindi, L.'
'Downs, R. T.'
'Spry, P. G.'
'Pinch, W. W.'
'Menchetti, S.'
_publ_section_title
;
 A chemical and structural re-examination of fettelite samples from the type locality,
 Odenwald, southwest Germany
 Sample: R110042
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              551
_journal_page_last               566
_journal_paper_doi               10.1180/minmag.2012.076.3.07
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Odenwald, southwest Germany'
_chemical_formula_sum            'Ag16 As4 Cu0.213 Hg0.786 S15'
_chemical_name_mineral           Fettelite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.45
_cell_angle_gamma                90
_cell_length_a                   26.030
_cell_length_b                   15.059
_cell_length_c                   15.524
_cell_formula_units_Z            8
_cell_volume                     6084.999
_database_code_amcsd             0018798
_exptl_crystal_density_diffrn    5.846
_cod_original_cell_volume        6085.000
_cod_original_formula_sum        '(Hg.786 Cu.213) Ag16 As4 S15'
_cod_database_code               9016616
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,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
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Hg1 0.12317 0.10741 0.50142 0.81100 0.02590
Cu1 0.12317 0.10741 0.50142 0.18900 0.02590
Hg2 0.13044 0.61371 0.50032 0.76200 0.02450
Cu2 0.13044 0.61371 0.50032 0.23800 0.02450
Ag1 0.27942 0.83547 0.91490 1.00000 0.03030
Ag2 0.07787 0.46518 0.08670 1.00000 0.02310
Ag3 0.04799 0.61918 -0.09576 1.00000 0.02070
Ag4 -0.02886 0.38295 0.08960 1.00000 0.02760
Ag5 -0.03282 -0.11871 0.09020 1.00000 0.02690
Ag6 0.07739 -0.02527 0.08670 1.00000 0.02400
Ag7 0.04706 0.11770 0.90500 1.00000 0.03040
Ag8 0.16718 0.24399 0.91080 1.00000 0.02400
Ag9 0.20512 0.09588 0.09780 1.00000 0.03010
Ag10 0.28159 0.32376 0.91150 1.00000 0.02340
Ag11 0.17838 0.74481 0.91220 1.00000 0.02870
Ag12 0.20066 0.61000 0.09360 1.00000 0.03300
Ag13 0.12931 -0.12908 0.71130 1.00000 0.02270
Ag14 0.11725 0.62574 0.30260 1.00000 0.02880
Ag15 0.01748 0.72701 0.30820 1.00000 0.02620
Ag16 0.01481 0.22640 0.29650 1.00000 0.03040
Ag17 0.13132 0.37339 0.70689 1.00000 0.01960
Ag18 0.23574 0.48206 0.69800 1.00000 0.02480
Ag19 0.12004 0.12922 0.30830 1.00000 0.02640
Ag20 0.00000 0.73160 0.50000 1.00000 0.03020
Ag21 0.13640 0.07349 0.68980 1.00000 0.02390
Ag22 0.18294 0.29352 0.50070 1.00000 0.02680
Ag23 0.13781 0.57552 0.69450 1.00000 0.02820
Ag24 0.11447 0.32572 0.29886 1.00000 0.02210
Ag25 0.17866 0.80057 0.49760 1.00000 0.02580
Ag26 0.23458 -0.01717 0.69530 1.00000 0.02690
Ag27 0.06951 -0.08579 0.50236 1.00000 0.02110
Ag28 0.11660 0.83255 0.29370 1.00000 0.02830
Ag29 0.24810 0.13996 0.50085 1.00000 0.02200
Ag30 0.00000 0.28740 0.50000 1.00000 0.02300
Ag31 0.24918 0.44863 0.50170 1.00000 0.02340
Ag32 0.00000 0.09450 0.50000 1.00000 0.02620
Ag33 0.07276 0.41872 0.50135 1.00000 0.02220
Ag34 0.00000 0.57620 0.50000 1.00000 0.02170
As1 0.08490 0.22500 0.07298 1.00000 0.02330
As2 0.08060 0.72480 0.07410 1.00000 0.02570
As3 0.16697 0.48560 0.92890 1.00000 0.02110
As4 0.16915 -0.01250 0.92660 1.00000 0.01940
As5 0.24888 0.73250 0.28500 1.00000 0.02070
As6 0.00058 0.47160 0.28600 1.00000 0.02080
As7 0.00114 -0.02440 0.71490 1.00000 0.02090
As8 0.25080 0.23280 0.28490 1.00000 0.02000
S1 0.00610 0.74170 0.15190 1.00000 0.03300
S2 0.11730 0.11030 0.15320 1.00000 0.03900
S3 0.24400 0.46620 0.85810 1.00000 0.03900
S4 0.13530 0.60300 0.85490 1.00000 0.03000
S5 0.01050 0.24210 0.13960 1.00000 0.04200
S6 0.12610 -0.11700 0.87360 1.00000 0.03100
S7 0.12120 0.37690 0.86200 1.00000 0.02900
S8 0.12280 0.84010 0.13000 1.00000 0.03500
S9 0.11280 0.60950 0.14670 1.00000 0.03400
S10 0.12580 0.33480 0.13390 1.00000 0.03700
S11 0.24170 -0.02760 0.85670 1.00000 0.04200
S12 0.25420 0.70080 -0.00320 1.00000 0.03400
S13 0.13250 0.09530 0.85120 1.00000 0.03700
S14 0.00000 0.51410 0.00000 1.00000 0.04000
S15 0.00000 0.01400 0.00000 1.00000 0.03200
S16 0.21330 0.84940 0.35970 1.00000 0.03800
S17 0.07550 -0.02610 0.35360 1.00000 0.03700
S18 0.08570 0.74030 0.45310 1.00000 0.03200
S19 0.08280 0.23050 0.44140 1.00000 0.03800
S20 0.16680 -0.02420 0.54650 1.00000 0.03400
S21 0.21260 0.61450 0.35100 1.00000 0.03600
S22 0.07420 0.47320 0.35110 1.00000 0.03700
S23 0.04310 -0.13460 0.65040 1.00000 0.03400
S24 -0.03760 0.36100 0.35090 1.00000 0.03400
S25 -0.03580 0.58700 0.35510 1.00000 0.03100
S26 0.17330 0.23900 0.64470 1.00000 0.03300
S27 0.21130 0.34910 0.35640 1.00000 0.03300
S28 0.28570 0.61650 0.64930 1.00000 0.03600
S29 -0.03360 0.08930 0.36120 1.00000 0.03300
S30 0.16920 0.72960 0.64420 1.00000 0.03800
S31 0.16050 0.48180 0.55930 1.00000 0.03300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018798
