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: B2-0
;
_database_code_amcsd 0004217
_chemical_formula_sum 'As S'
_cell_length_a 9.958
_cell_length_b 9.311
_cell_length_c 8.867
_cell_angle_alpha 90
_cell_angle_beta 102.57
_cell_angle_gamma 90
_cell_volume 802.433
_exptl_crystal_density_diffrn      3.542
_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_U_iso_or_equiv
As1  -0.00187  -0.20545   0.05489   0.02920
As2  -0.16022  -0.40157   0.12611   0.02860
S1   0.00000  -0.05400   0.25000   0.03400
S2   0.00000  -0.55360   0.25000   0.03630
S3  -0.20120  -0.30400   0.34030   0.03500
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 0.03480 0.03390 0.01880 0.00540 0.00600 0.00670
As2 0.02360 0.03170 0.02640 0.00050 -0.00360 -0.00650
S1 0.04430 0.02260 0.03460 0.00000 0.00760 0.00000
S2 0.03610 0.02190 0.04500 0.00000 -0.00430 0.00000
S3 0.02620 0.04930 0.03180 -0.00440 0.01170 -0.00640