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 = 6 hours
 Note: space group corrected
;
_database_code_amcsd 0003934
_chemical_formula_sum 'As S'
_cell_length_a 9.343
_cell_length_b 13.561
_cell_length_c 6.580
_cell_angle_alpha 90
_cell_angle_beta 106.10
_cell_angle_gamma 90
_cell_volume 800.991
_exptl_crystal_density_diffrn      3.549
_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   0.12290  -0.02090   0.76400   0.04560
As2   0.42340   0.13920   0.85480   0.04510
As3   0.32060   0.12680   0.17610   0.04520
As4   0.04060   0.16070   0.71530   0.04790
S1   0.34610  -0.00620   0.70330   0.04750
S2   0.21380  -0.02250   0.11460   0.04580
S3   0.23970   0.22460   0.63990   0.05070
S4   0.10680   0.20980   0.04940   0.04940
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 0.04730 0.03860 0.04830 -0.00500 0.00890 -0.00510
As2 0.04230 0.03830 0.05670 -0.00340 0.01720 0.00270
As3 0.04690 0.04570 0.04250 -0.00190 0.01150 -0.00430
As4 0.04530 0.04580 0.05020 0.00470 0.00920 0.00280
S1 0.05330 0.04180 0.05080 0.00470 0.02000 0.00660
S2 0.04790 0.03860 0.04690 -0.00210 0.00660 0.00490
S3 0.05850 0.03960 0.05630 0.00530 0.01960 0.01010
S4 0.05020 0.04550 0.05400 0.01100 0.01730 -0.00490