#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/77/9017701.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_9017701
loop_
_publ_author_name
'Pinto, D.'
'Garavelli, A.'
'Balic-Zunic T'
_publ_section_title
;
 The crystal structure of baliczunicite, Bi2O(SO4)2, a new natural bismuth oxide sulfate
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              597
_journal_page_last               611
_journal_volume                  79
_journal_year                    2015
_chemical_compound_source
'La Fossa crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'Bi2 O9 S2'
_chemical_name_mineral           Baliczunicite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.082
_cell_angle_beta                 88.462
_cell_angle_gamma                89.517
_cell_length_a                   6.7386
_cell_length_b                   11.1844
_cell_length_c                   14.1754
_cell_formula_units_Z            6
_cell_volume                     1052.007
_database_code_amcsd             0020387
_exptl_crystal_density_diffrn    5.929
_cod_data_source_file            inputs/fixed/downloads/18/18608.cif
_cod_data_source_block           18608
_cod_original_formula_sum        'Bi2 S2 O9'
_cod_database_code               9017701
loop_
_space_group_symop_operation_xyz
x,y,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
Bi1 0.32303 0.26686 0.08679 0.01183
Bi2 0.82886 0.53970 0.15591 0.01036
Bi3 0.76466 0.86186 0.13679 0.01320
Bi4 0.74596 0.62711 0.38112 0.01086
Bi5 0.32337 0.70789 0.62464 0.00988
Bi6 0.16084 0.00838 0.36111 0.01279
S1 0.81630 0.18750 0.18090 0.00950
S2 0.31460 0.57080 0.08090 0.00790
S3 0.26040 0.94600 0.11590 0.01040
S4 0.25360 0.66550 0.39960 0.01040
S5 0.19850 0.31360 0.33230 0.01040
S6 0.66340 0.92220 0.41370 0.00940
O1 0.80100 0.69000 0.23330 0.01400
O2 0.74270 0.47150 0.31430 0.00600
O3 0.76200 0.72190 0.05400 0.01000
O4 0.20100 0.98300 0.20430 0.05900
O5 0.15800 0.62510 0.13370 0.01400
O6 0.22100 0.46370 0.04430 0.01500
O7 0.47800 0.52670 0.14630 0.01200
O8 0.61700 0.34390 0.00450 0.01300
O9 0.70100 0.29480 0.20600 0.01100
O10 0.10600 0.87100 0.72620 0.02400
O11 0.67800 0.11270 0.14080 0.02000
O12 0.97700 0.23800 0.10930 0.02100
O13 0.12700 0.37880 0.24260 0.02000
O14 0.03800 0.28730 0.40320 0.01600
O15 0.63700 0.62020 0.63210 0.01300
O16 0.29000 0.19570 0.31170 0.01500
O17 0.09500 0.59630 0.37060 0.02700
O18 0.41900 0.67390 0.32910 0.01500
O19 0.32500 0.60190 0.49670 0.01900
O20 0.18500 0.78780 0.41110 0.02100
O21 0.78400 0.87240 0.34060 0.01500
O22 0.19900 0.00260 0.53850 0.01900
O23 0.50700 0.00440 0.36770 0.01100
O24 0.58300 0.82180 0.48460 0.01700
O25 0.09600 0.89200 0.07660 0.04600
O26 0.31600 0.05790 0.04780 0.01800
O27 0.42000 0.86020 0.13140 0.03300
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020387
