data_global
_chemical_name_mineral 'Realgar'
loop_
_publ_author_name
'Kyono A'
'Kimata M'
'Hatta T'
_journal_name_full 'American Mineralogist'
_journal_volume 90 
_journal_year 2005
_journal_page_first 1563
_journal_page_last 1570
_publ_section_title
;
 Light-induced degradation dynamics in realgar: in situ structural investigation
 using single crystal X-ray diffraction and X-ray photoelectron spectroscopy
 Sample: Getchell mine, Nevada; t = 0 hours
 Note: space group corrected
;
_database_code_amcsd 0003933
_chemical_formula_sum 'As S'
_cell_length_a 9.327
_cell_length_b 13.563
_cell_length_c 6.590
_cell_angle_alpha 90
_cell_angle_beta 106.46
_cell_angle_gamma 90
_cell_volume 799.484
_exptl_crystal_density_diffrn      3.555
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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
As1   0.12110  -0.02060   0.76350   0.04180
As2   0.42400   0.13880   0.85620   0.04060
As3   0.32080   0.12640   0.17800   0.04050
As4   0.03950   0.16090   0.71470   0.04290
S1   0.34400  -0.00640   0.70070   0.04260
S2   0.21380  -0.02340   0.11470   0.04260
S3   0.23800   0.22610   0.63930   0.04400
S4   0.10710   0.21030   0.05220   0.04450
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 0.04260 0.03730 0.04560 -0.00450 0.01250 -0.00340
As2 0.03710 0.03780 0.04880 -0.00200 0.01540 0.00050
As3 0.03900 0.04290 0.03970 -0.00050 0.01110 -0.00300
As4 0.03700 0.04270 0.04810 0.00470 0.01060 0.00200
S1 0.04540 0.03830 0.04750 0.00540 0.01900 -0.00240
S2 0.04410 0.03930 0.04630 -0.00180 0.01570 0.00420
S3 0.04940 0.03810 0.04670 0.00320 0.01720 0.00800
S4 0.04410 0.04760 0.04560 0.00730 0.01890 -0.00170