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 = 18 hours
 Note: space group corrected
;
_database_code_amcsd 0003936
_chemical_formula_sum 'As S'
_cell_length_a 9.380
_cell_length_b 13.569
_cell_length_c 6.593
_cell_angle_alpha 90
_cell_angle_beta 105.55
_cell_angle_gamma 90
_cell_volume 808.424
_exptl_crystal_density_diffrn      3.516
_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   0.12540  -0.02050   0.76600   0.06530
As2   0.42290   0.13920   0.85170   0.06280
As3   0.31970   0.12670   0.17350   0.06460
As4   0.04120   0.15970   0.71510   0.06870
S1   0.34590  -0.00580   0.69940   0.06800
S2   0.21260  -0.02210   0.11230   0.06920
S3   0.23880   0.22480   0.64210   0.07770
S4   0.10790   0.21100   0.04840   0.08180
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 0.07110 0.05300 0.07250 -0.00810 0.02060 -0.00550
As2 0.05570 0.05670 0.08120 0.00170 0.02720 0.00240
As3 0.05900 0.06470 0.07210 -0.00190 0.02120 -0.00120
As4 0.05800 0.06600 0.08020 0.00260 0.01540 0.00340
S1 0.06620 0.06030 0.08330 0.01130 0.02980 0.00190
S2 0.05460 0.06270 0.09480 0.00020 0.02780 -0.00070
S3 0.07040 0.06700 0.09270 0.00900 0.01650 0.02510
S4 0.07470 0.06270 0.11320 0.01740 0.03440 -0.02060