#------------------------------------------------------------------------------
#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/08/9010805.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_9010805
loop_
_publ_author_name
'Orlandi, P.'
'Moelo, Y.'
'Campostrini, I.'
'Meerschaut, A.'
_publ_section_title
;
 Lead-antimony sulfosalts from Tuscany (Italy). IX. Marrucciite,
 Hg3Pb16Sb18S46,a new sulfosalt from Buca della Vena mine, Apuan Alps:
 definition and crystal structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              267
_journal_page_last               279
_journal_paper_doi               10.1127/0935-1221/2007/0019-1718
_journal_volume                  19
_journal_year                    2007
_chemical_compound_source
'Buca della Vena mine, Apuan Alps, Tuscany, Italy'
_chemical_formula_sum            'Hg3 Pb16.08 S46 Sb17.92'
_chemical_name_mineral           Marrucciite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.84
_cell_angle_gamma                90
_cell_length_a                   48.32
_cell_length_b                   4.1170
_cell_length_c                   24.056
_cell_formula_units_Z            2
_cell_volume                     4191.993
_database_code_amcsd             0007219
_exptl_crystal_density_diffrn    6.013
_cod_original_formula_sum        'Hg3 Pb16.08 Sb17.92 S46'
_cod_database_code               9010805
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
-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 0.00000 0.00000 0.50000 1.00000 0.02420
Hg2 -0.12993 0.50000 0.56857 1.00000 0.03160
Pb1 -0.02600 0.50000 0.61767 1.00000 0.02330
Pb2 0.06881 0.50000 0.65812 1.00000 0.02330
Pb3 -0.18617 0.00000 0.37752 1.00000 0.02500
Pb4 0.21497 0.50000 0.26235 1.00000 0.02470
Pb5 0.11942 0.50000 0.85218 1.00000 0.02010
Pb6 0.16059 0.50000 0.05133 1.00000 0.02390
Pb7 0.11078 0.50000 0.16352 1.00000 0.02250
Pb8 -0.05450 0.50000 0.74680 0.63000 0.02100
Sb8 -0.04580 0.50000 0.75680 0.37000 0.02100
Pb9 0.03420 0.00000 0.81940 0.41000 0.02800
Sb9 0.03770 0.00000 0.80900 0.59000 0.02800
Sb1 -0.09600 0.08180 0.46646 0.50000 0.02000
Sb2 -0.23449 0.50000 0.44876 1.00000 0.02950
Sb3 0.17107 0.00000 0.35666 1.00000 0.02410
Sb4 0.33929 0.50000 0.24036 1.00000 0.02250
Sb5 0.20481 0.00000 -0.04250 1.00000 0.03220
Sb6 0.24964 0.00000 0.15138 1.00000 0.02300
Sb7 0.07073 0.04400 -0.01380 0.50000 0.02900
Sb10 -0.02174 0.03800 0.91410 0.50000 0.03600
S1 0.01900 0.00000 0.61070 1.00000 0.01500
S2 -0.05550 0.50000 0.48050 1.00000 0.01400
S3 -0.07710 0.00000 0.58010 1.00000 0.02200
S4 -0.19310 0.00000 0.48800 1.00000 0.02400
S5 0.21670 0.55500 0.39260 0.50000 0.02200
S6 -0.12780 0.55100 0.67010 0.50000 0.02500
S7 -0.13860 0.50000 0.46290 1.00000 0.01900
S8 -0.23490 0.50000 0.34550 1.00000 0.02000
S9 0.16390 0.00000 0.24870 1.00000 0.01600
S10 0.35600 0.04900 0.32010 0.50000 0.02700
S11 0.18320 0.55400 0.86350 0.50000 0.03300
S12 0.22550 0.56400 0.04830 0.50000 0.02200
S13 0.27070 0.50000 0.23050 1.00000 0.02300
S14 0.39130 0.50000 0.24260 1.00000 0.01800
S15 0.15320 0.00000 -0.04480 1.00000 0.02000
S16 0.19960 0.00000 0.15540 1.00000 0.01600
S17 0.04790 0.50000 0.75700 1.00000 0.02300
S18 0.00100 0.50000 0.86330 1.00000 0.02300
S19 -0.04720 0.54200 -0.04560 0.50000 0.02000
S20 0.09100 0.53400 -0.05560 0.50000 0.02100
S21 -0.02030 0.00000 0.72250 1.00000 0.02300
S22 -0.07110 0.00000 0.81300 1.00000 0.01600
S23 0.11980 0.00000 0.08610 1.00000 0.01700
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0007219
