data_global
_chemical_name_mineral 'Bernardite'
loop_
_publ_author_name
'Pasava J'
'Pertlik F'
'Stumpfl E F'
'Zemann J'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 53 
_journal_year 1989
_journal_page_first 531
_journal_page_last 538
_publ_section_title
;
 Bernardite, a new thallium arsenic sulphosalt from Allchar,
 Macedonia, with a determination of the crystal structure
;
_database_code_amcsd 0014490
_chemical_compound_source 'Allchar, Macedonia'
_chemical_formula_sum 'Tl As5 S8'
_cell_length_a 15.647
_cell_length_b 8.038
_cell_length_c 10.750
_cell_angle_alpha 90
_cell_angle_beta 91.27
_cell_angle_gamma 90
_cell_volume 1351.702
_exptl_crystal_density_diffrn      4.106
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-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
Tl   0.27798   0.15448   0.82965
As1   0.55310   0.66940   0.90030
As2   0.06540   0.45450   0.88250
As3   0.26260   0.63420   0.94010
As4   0.57830   0.12160   0.88590
As5   0.88940   0.21480   0.86260
S1   0.42760   0.11050   0.39970
S2   0.56280   0.14510   0.09550
S3   0.33640   0.10510   0.09980
S4   0.03280   0.18090   0.88860
S5   0.18160   0.41480   0.01180
S6   0.13200   0.44940   0.69790
S7   0.84750   0.32940   0.56140
S8   0.68600   0.17780   0.36390
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
Tl 0.04330 0.03080 0.03530 -0.00010 -0.00120 -0.00380
As1 0.03290 0.03360 0.02790 0.01650 0.00500 0.00490
As2 0.01870 0.02150 0.02450 -0.00040 0.00160 -0.00090
As3 0.02380 0.01760 0.02360 -0.00260 -0.00150 0.00060
As4 0.02270 0.01910 0.02310 -0.00250 -0.00010 0.00060
As5 0.02550 0.02340 0.02250 -0.00100 0.00070 -0.00050
S1 0.03380 0.02490 0.02550 -0.00170 -0.00040 -0.00530
S2 0.02250 0.02050 0.02530 0.00150 0.00090 -0.00140
S3 0.02630 0.01930 0.03100 0.00130 0.00160 -0.00100
S4 0.02080 0.02150 0.04550 -0.00180 0.00260 0.00050
S5 0.03230 0.01990 0.02570 -0.00580 -0.00500 0.00320
S6 0.04530 0.03050 0.02790 0.01520 0.01220 0.00660
S7 0.03090 0.02460 0.02150 -0.00300 0.00100 -0.00150
S8 0.02720 0.02390 0.02140 0.00660 -0.00170 -0.00280