#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/61/9016106.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_9016106
loop_
_publ_author_name
'Topa, D.'
'Sejkora, J.'
'Makovicky, E.'
'Prsek, J.'
'Ozdin, D.'
'Putz, H.'
'Dittrich, H.'
'Karup-Moller S'
_publ_section_title
;
 Chovanite, Pb15-2xSb14+2xS36Ox (x~0.2), a new sulphosalt species from
 the Low Tatra Mountains, Western Carpathians, Slovakia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              727
_journal_page_last               740
_journal_paper_doi               10.1127/0935-1221/2012/0024-2189
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'the Low Tatra Mountains, Western Carpathians, Slovakia'
_chemical_formula_sum            'O0.18 Pb13.44 S36 Sb15.56'
_chemical_name_mineral           Chovanite
_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                 106.059
_cell_angle_gamma                90
_cell_length_a                   48.19
_cell_length_b                   4.110
_cell_length_c                   34.24
_cell_formula_units_Z            4
_cell_volume                     6516.969
_database_code_amcsd             0019349
_exptl_crystal_density_diffrn    5.949
_cod_original_formula_sum        'Pb13.44 Sb15.56 S36 O.18'
_cod_database_code               9016106
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
Pb1 0.02390 0.50000 0.16520 0.56000 0.05500
Sb1 0.01460 0.50000 0.16050 0.44000 0.04700
Pb2 0.04398 0.00000 0.38229 1.00000 0.04500
Pb3 0.08660 0.50000 0.10010 0.75000 0.04200
Sb2 0.08540 0.50000 0.08900 0.25000 0.03700
Pb4 0.11293 0.00000 0.31850 1.00000 0.04100
Pb5 0.13504 0.00000 0.45417 1.00000 0.04360
Pb6 0.16999 0.00000 0.11932 1.00000 0.04380
Pb7 0.17608 0.00000 0.24591 1.00000 0.06210
Pb8 0.28445 0.50000 0.29657 1.00000 0.05230
Pb9 0.32427 0.50000 0.42096 1.00000 0.03840
Pb10 0.34908 0.50000 0.01083 1.00000 0.04770
Pb11 0.36462 0.50000 0.14477 1.00000 0.04650
Pb12 0.36779 0.50000 0.27584 1.00000 0.07400
Pb13 0.45489 0.50000 0.33256 1.00000 0.03890
Sb3 0.00750 0.00000 0.05442 0.85000 0.06800
Pb14 0.00750 0.00000 0.05442 0.15000 0.06800
Sb4 0.03177 0.50000 0.26923 1.00000 0.05600
Sb5 0.07505 0.50000 0.50197 1.00000 0.05300
Sb6 0.10340 0.50000 0.20060 0.48000 0.04300
Sb7 0.09210 0.50000 0.20830 0.52000 0.04000
Sb8 0.18577 0.50000 0.38720 1.00000 0.05100
Sb9 0.22379 0.50000 0.05960 1.00000 0.06100
Sb10 0.24007 0.50000 0.18630 1.00000 0.05500
Sb11 0.24399 0.00000 0.36623 1.00000 0.05900
Sb12 0.28282 0.00000 0.49255 1.00000 0.05100
Sb13 0.29329 0.00000 0.06873 1.00000 0.05100
Sb14 0.30742 0.00000 0.19841 1.00000 0.05600
Sb15 0.39790 0.00000 0.38639 1.00000 0.05400
Sb16 0.42896 0.50000 0.00867 1.00000 0.09600
Pb15 0.43990 0.50000 0.11000 0.61000 0.05600
Sb17 0.44310 0.50000 0.11990 0.39000 0.04300
Sb18 0.49180 0.00000 0.44680 0.45000 0.03800
Sb19 0.48550 0.00000 0.43930 0.55000 0.05600
Sb20 0.45184 0.00000 0.22292 0.63000 0.05400
Pb16 0.45184 0.00000 0.22292 0.37000 0.05400
S1 0.00640 0.00000 0.29440 1.00000 0.05100
S2 0.04050 0.50000 0.02870 1.00000 0.03600
S3 0.04640 0.00000 0.12090 1.00000 0.03700
S4 0.06770 0.00000 0.23790 1.00000 0.06400
S5 0.07030 0.50000 0.33240 1.00000 0.03400
S6 0.08480 0.50000 0.43670 1.00000 0.04600
S7 0.11070 0.00000 0.52810 1.00000 0.05700
S8 0.12580 0.00000 0.17520 1.00000 0.04400
S9 0.13700 0.50000 0.38750 1.00000 0.03600
S10 0.13610 0.50000 0.26580 1.00000 0.04000
S11 0.17190 0.50000 0.05330 1.00000 0.03700
S12 0.17830 0.00000 0.33960 1.00000 0.06900
S13 0.18890 0.50000 0.18330 1.00000 0.04000
S14 0.21320 0.00000 -0.00120 1.00000 0.07100
S15 0.22950 0.00000 0.12020 1.00000 0.05800
S16 0.23160 0.50000 0.31420 1.00000 0.06600
S17 0.24580 0.00000 0.23780 1.00000 0.06700
S18 0.26790 0.50000 0.43140 1.00000 0.06200
S19 0.29360 0.00000 0.35880 1.00000 0.03500
S20 0.29800 0.50000 0.54890 1.00000 0.05200
S21 0.30160 0.50000 0.12250 1.00000 0.05100
S22 0.32610 0.00000 0.27540 1.00000 0.06600
S23 0.33170 0.00000 0.48450 1.00000 0.03600
S24 0.34480 0.00000 0.07270 1.00000 0.03500
S25 0.35770 0.00000 0.19900 1.00000 0.04600
S26 0.36210 0.50000 0.35700 1.00000 0.04100
S27 0.39240 0.50000 -0.05540 1.00000 0.04200
S28 0.40250 0.00000 0.03550 1.00000 0.06400
S29 0.40960 0.00000 0.32090 1.00000 0.02800
S30 0.41890 0.00000 0.14940 1.00000 0.04900
S31 0.42150 0.50000 0.23680 1.00000 0.04600
S32 0.44570 0.50000 0.41260 1.00000 0.04800
S33 0.48230 0.00000 0.09010 1.00000 0.04000
S34 0.48570 0.50000 0.18020 1.00000 0.04400
S35 0.49830 0.00000 0.37670 1.00000 0.04400
S36 0.52910 0.50000 0.46680 1.00000 0.05500
O 0.30800 0.50000 0.22000 0.18000 0.02000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019349
