#------------------------------------------------------------------------------
#$Date: 2024-05-29 15:00:33 +0100 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/76/9017692.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_9017692
loop_
_publ_author_name
'Bindi, L.'
'Pratesi, G.'
'Muniz-Miranda M'
'Zoppi, M.'
'Chelazzi, L.'
'Lepore, G. O.'
'Menchetti, S.'
_publ_section_title
;
 From ancient pigments to modern optoelectronic applications of arsenic sulfides:
 bonazziite, the natural analogue of beta-As4S4 from Khaidarkan deposit, Kyrgyzstan
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              121
_journal_page_last               131
_journal_volume                  79
_journal_year                    2015
_chemical_compound_source
'Fergana Valley, Alai Range, Osh Oblast, Kyrgyzstan'
_chemical_formula_sum            'As S'
_chemical_name_mineral           Bonazziite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.55
_cell_angle_gamma                90
_cell_length_a                   9.956
_cell_length_b                   9.308
_cell_length_c                   8.869
_cell_formula_units_Z            16
_cell_volume                     802.256
_database_code_amcsd             0020633
_exptl_crystal_density_diffrn    3.543
_cod_data_source_file            inputs/fixed/downloads/18/18599.cif
_cod_data_source_block           18599
_cod_original_cell_volume        802.257
_cod_database_code               9017692
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
As1 0.03490 0.03410 0.01750 0.00550 0.00590 0.00670
As2 0.02370 0.03190 0.02500 0.00050 -0.00380 -0.00650
S1 0.04460 0.02260 0.03360 0.00000 0.00790 0.00000
S2 0.03620 0.02220 0.04350 0.00000 -0.00460 0.00000
S3 0.02670 0.04940 0.03090 -0.00440 0.01180 -0.00640
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As1 -0.00188 -0.20545 0.05491 0.02880
As2 -0.16022 -0.40158 0.12611 0.02830
S1 0.00000 0.05400 0.25000 0.03370
S2 0.00000 0.55360 0.25000 0.03600
S3 -0.20120 -0.30400 0.34030 0.03480
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020633