data_global
_chemical_name_mineral 'Bonazziite'
loop_
_publ_author_name
'Bonazzi P'
'Bindi L'
'Pratesi G'
'Menchetti S'
_journal_name_full 'American Mineralogist'
_journal_volume 91 
_journal_year 2006
_journal_page_first 1323
_journal_page_last 1330
_publ_section_title
;
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: B2-840, light exposure for t = 840 minutes
 Note: bonazziite - alacranite series
;
_database_code_amcsd 0004219
_chemical_formula_sum 'As2 S2.11'
_cell_length_a 9.831
_cell_length_b 9.444
_cell_length_c 8.986
_cell_angle_alpha 90
_cell_angle_beta 101.36
_cell_angle_gamma 90
_cell_volume 817.951
_exptl_crystal_density_diffrn      3.532
_symmetry_space_group_name_H-M 'C 1 2/c 1'
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
As1   0.00060  -0.20970   0.05760   0.78000   0.06070
As1b   0.04600  -0.16600   0.09300   0.22000   0.12100
As2  -0.16060  -0.40520   0.13180   0.78000   0.06350
As2b  -0.11400  -0.46600   0.17600   0.22000   0.07400
S1   0.00000  -0.06210   0.25000   1.00000   0.07700
S2   0.00000  -0.55190   0.25000   0.78000   0.08400
S3  -0.20450  -0.30940   0.33770   1.00000   0.07900
S4  -0.10200  -0.32500  -0.00400   0.22000   0.07500
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 0.06100 0.07600 0.04400 0.01200 0.00890 0.01300
As1b 0.09300 0.05300 0.21000 0.01900 0.02700 0.04300
As2 0.04300 0.06500 0.07700 0.00680 -0.00160 -0.02000
As2b 0.05400 0.10100 0.07200 -0.00900 0.02300 -0.04500
S1 0.08300 0.05300 0.09400 0.00000 0.01700 0.00000
S2 0.06100 0.04700 0.13700 0.00000 -0.00100 0.00000
S3 0.05000 0.11000 0.08400 -0.00400 0.02700 -0.01300
S4 0.09000 0.09000 0.04100 0.05000 0.00400 0.00200