data_global
_chemical_name_mineral 'Pokhodyashinite'
loop_
_publ_author_name
'Kasatkin A V'
'Plasil J'
'Makovicky E'
'Skoda R'
'Agakhanov A A'
'Tsyganko M V'
_journal_name_full 'Journal of Geosciences'
_journal_volume 67 
_journal_year 2022
_journal_page_first 41
_journal_page_last 51
_publ_section_title
;
 Pokhodyashinite, CuTlSb2(Sb1-xTlx)AsS7-x, a new thallium sulfosalt
 from the Vorontsovskoe gold deposit, Northern Urals, Russia
;
_database_code_amcsd 0021064
_chemical_compound_source 'Vorontsovskoe gold deposit, Northern Urals, Russia'
_chemical_formula_sum 'Tl1.228 Sb2.773 (Cu.69 Ag.31) As S6.53'
_cell_length_a 23.341
_cell_length_b 3.996
_cell_length_c 14.070
_cell_angle_alpha 90
_cell_angle_beta 110.23
_cell_angle_gamma 90
_cell_volume 1231.364
_exptl_crystal_density_diffrn      5.125
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-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_occupancy
_atom_site_U_iso_or_equiv
Tl1   0.30974   0.50000   0.83640   1.00000   0.04100
Sb1   0.44839   0.00000   0.73575   1.00000   0.03820
Sb2   0.56773   0.00000   0.60163   0.78500   0.05300
Tl2   0.56773   0.00000   0.60163   0.21600   0.05300
Sb3   0.32061   0.50000   0.51570   0.98800   0.05230
Tl3   0.32061   0.50000   0.51570   0.01200   0.05230
Cu1   0.55242   0.50000   0.95090   0.69000   0.08900
Ag1   0.55242   0.50000   0.95090   0.31000   0.08900
As1   0.65560   0.00000   0.86910   1.00000   0.08300
S1   0.43010   0.50000   0.56760   0.97000   0.02600
S2   0.33550   1.00000   0.66910   1.00000   0.02700
S3   0.44830   0.50000   0.85640   1.00000   0.02800
S4   0.68450   0.00000   0.62110   0.91000   0.02700
S5   0.60940   0.00000   0.98340   1.00000   0.04500
S6   0.71680  -0.50000   0.93090   0.65000   0.08700
S7   0.58400   0.50000   0.73250   1.00000   0.17100
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
Tl1 0.03910 0.03770 0.05030 0.00000 0.02060 0.00000
Sb1 0.03570 0.02200 0.06730 0.00000 0.03080 0.00000
Sb2 0.09050 0.02700 0.03620 0.00000 0.01490 0.00000
Tl2 0.09050 0.02700 0.03620 0.00000 0.01490 0.00000
Sb3 0.02330 0.02670 0.10900 0.00000 0.02480 0.00000
Tl3 0.02330 0.02670 0.10900 0.00000 0.02480 0.00000
Cu1 0.04500 0.03600 0.14700 0.00000 -0.01800 0.00000
Ag1 0.04500 0.03600 0.14700 0.00000 -0.01800 0.00000
As1 0.05400 0.16100 0.02620 0.00000 0.00530 0.00000
S1 0.01900 0.02900 0.02900 0.00000 0.00600 0.00000
S2 0.03300 0.01900 0.03100 0.00000 0.01200 0.00000
S3 0.03300 0.02800 0.02900 0.00000 0.01800 0.00000
S4 0.02900 0.03000 0.02000 0.00000 0.00600 0.00000
S5 0.05000 0.05300 0.03300 0.00000 0.01400 0.00000
S6 0.01300 0.21000 0.03500 0.00000 0.00400 0.00000
S7 0.03600 0.37000 0.08000 0.00000 -0.01400 0.00000