#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/64/9016425.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_9016425
loop_
_publ_author_name
'Ilinca, G.'
'Makovicky, E.'
'Topa, D.'
'Zagler, G.'
_publ_section_title
;
 Cuproneyite, Cu7Pb27Bi25S68, a new mineral species from Baita Bihor, Romania
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              353
_journal_page_last               370
_journal_paper_doi               10.3749/canmin.50.2.353
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'skarn deposit of Baita Bihor, Romania'
_chemical_formula_sum            'Ag0.44 Bi13.19 Cu4 Pb12.27 S34'
_chemical_name_mineral           Cuproneyite
_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                 108.800
_cell_angle_gamma                90
_cell_length_a                   37.432
_cell_length_b                   4.0529
_cell_length_c                   43.545
_cell_formula_units_Z            4
_cell_volume                     6253.690
_database_code_amcsd             0019214
_exptl_crystal_density_diffrn    7.106
_cod_original_cell_volume        6253.689
_cod_original_formula_sum        'Bi13.19 Pb12.27 Ag.44 Cu4 S34'
_cod_database_code               9016425
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
BiMe1 0.09479 0.00000 0.94994 0.87000 0.01550
PbMe1 0.09479 0.00000 0.94994 0.13000 0.01550
BiMe2 0.43264 0.00000 0.13679 0.76000 0.01670
PbMe2 0.43264 0.00000 0.13679 0.24000 0.01670
PbMe3 0.31779 0.00000 0.07426 1.00000 0.01760
PbMe4 0.20486 0.00000 0.01401 0.60000 0.01720
BiMe4 0.20486 0.00000 0.01401 0.40000 0.01720
BiMe5 0.04094 0.00000 0.77609 0.62000 0.01730
PbMe5 0.04094 0.00000 0.77609 0.38000 0.01730
PbMe6 0.15607 0.00000 0.83874 0.58000 0.01670
BiMe6 0.15607 0.00000 0.83874 0.32000 0.01670
AgMe6 0.15607 0.00000 0.83874 0.10000 0.01670
PbMe7 0.27069 0.00000 0.90086 0.56000 0.01840
BiMe7 0.27069 0.00000 0.90086 0.44000 0.01840
BiMe8 0.48443 0.00000 0.30993 1.00000 0.01460
PbMe9 0.37119 0.00000 0.24783 0.69000 0.01670
BiMe9 0.37119 0.00000 0.24783 0.21000 0.01670
BiMe10 0.25622 0.00000 0.18681 0.67000 0.01840
PbMe10 0.25622 0.00000 0.18681 0.33000 0.01840
BiMe11 0.09895 0.00000 0.66333 0.74000 0.01870
AgMe11 0.09895 0.00000 0.66333 0.20000 0.01870
PbMe11 0.09895 0.00000 0.66333 0.06000 0.01870
BiMe12 0.21207 0.00000 0.72516 0.90000 0.01570
PbMe12 0.21207 0.00000 0.72516 0.10000 0.01570
BiMe13 0.40254 0.00000 0.52779 0.73000 0.01560
PbMe13 0.40254 0.00000 0.52779 0.27000 0.01560
PbMe14 0.29539 0.00000 0.54228 1.00000 0.02150
BiMe15 0.18339 0.00000 0.53685 0.97000 0.01540
PbMe15 0.18339 0.00000 0.53685 0.03000 0.01540
BiMe16 0.08132 0.00000 0.55147 0.62000 0.03950
PbMe16 0.08132 0.00000 0.55147 0.24000 0.03950
AgMe16 0.08132 0.00000 0.55147 0.14000 0.03950
BiMe17 0.37480 0.00000 0.85601 0.94000 0.01870
PbMe17 0.37480 0.00000 0.85601 0.06000 0.01870
PbMe18 0.33280 0.00000 0.75038 1.00000 0.02240
BiMe19 0.31853 0.00000 0.65072 1.00000 0.01740
BiMe20 0.02897 0.00000 0.08667 1.00000 0.02460
BiMe21 0.06833 0.00000 0.19275 1.00000 0.01990
PbMe22 0.07808 0.00000 0.28962 1.00000 0.02750
PbMe23 0.10222 0.00000 0.38831 1.00000 0.02170
PbMe24 0.38853 0.00000 0.95693 1.00000 0.03640
PbMe25 0.00262 0.00000 0.41318 1.00000 0.03400
PbMe26 0.31900 0.00000 0.37204 1.00000 0.03320
Cu 0.50000 0.50000 0.04100 1.00000 ?
Cu1 0.46890 0.00000 0.01040 1.00000 0.03000
Cu2 0.23140 0.00000 0.30940 1.00000 0.03000
Cu3 0.74940 0.00000 0.58960 1.00000 0.02800
S1 0.06510 0.00000 -0.00420 1.00000 0.01300
S2 0.45410 0.00000 0.08300 1.00000 0.01300
S3 0.35220 0.00000 0.01810 1.00000 0.02500
S4 0.02020 0.00000 0.83410 1.00000 0.01700
S5 0.12810 0.00000 0.89350 1.00000 0.01800
S6 0.24110 0.00000 0.95720 1.00000 0.02100
S7 0.49160 0.00000 0.74530 1.00000 0.02100
S8 0.39920 0.00000 0.19280 1.00000 0.02000
S9 0.28750 0.00000 0.12830 1.00000 0.02000
S10 0.17790 0.00000 0.06500 1.00000 0.02200
S11 0.03100 0.00000 0.33560 1.00000 0.01500
S12 0.07300 0.00000 0.72400 1.00000 0.02200
S13 0.18470 0.00000 0.78470 1.00000 0.01900
S14 0.29130 0.00000 0.84350 1.00000 0.02700
S15 0.45210 0.00000 0.36090 1.00000 0.01400
S16 0.34280 0.00000 0.30660 1.00000 0.02000
S17 0.23800 0.00000 0.24430 1.00000 0.01400
S18 0.05210 0.00000 0.47990 1.00000 0.02000
S19 0.15020 0.00000 0.46130 1.00000 0.01200
S20 0.26830 0.00000 0.47330 1.00000 0.01400
S21 0.36380 0.00000 0.45370 1.00000 0.01700
S22 0.46800 0.00000 0.44680 1.00000 0.02100
S23 0.10270 0.00000 0.09570 1.00000 0.01600
S24 0.13810 0.00000 0.19300 1.00000 0.01700
S25 0.16630 0.00000 0.29640 1.00000 0.01600
S26 0.18640 0.00000 0.39300 1.00000 0.01900
S27 0.47150 0.00000 0.95410 1.00000 0.01800
S28 0.44550 0.00000 0.85700 1.00000 0.02000
S29 0.40750 0.00000 0.76040 1.00000 0.01100
S30 0.39060 0.00000 0.66180 1.00000 0.01400
S31 0.44050 0.00000 0.59020 1.00000 0.01600
S32 0.22270 0.00000 0.59740 1.00000 0.01400
S33 0.12360 0.00000 0.61400 1.00000 0.02800
S34 0.23810 0.00000 0.67710 1.00000 0.01600
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019214
