data_global
_chemical_name_mineral 'Karpovite'
loop_
_publ_author_name
'Siidra O I'
'Vergasova L P'
'Kretser Y L'
'Polekhovsky Y S'
'Filatov S K'
'Krivovichev S V'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 78 
_journal_year 2014
_journal_page_first 1699
_journal_page_last 1709
_publ_section_title
;
 Unique thallium mineralization in the fumaroles of the Tolbachik volcano,
 Kamchatka Peninsula, Russia. II. Karpovite Tl2VO(SO4)2(H2O)
;
_database_code_amcsd 0020608
_chemical_compound_source 'Tolbachik volcano, Kamchatka Peninsula, Russia'
_chemical_formula_sum 'Tl2 V S2 O10 H2'
_cell_length_a 4.6524
_cell_length_b 11.0757
_cell_length_c 9.3876
_cell_angle_alpha 90
_cell_angle_beta 98.353
_cell_angle_gamma 90
_cell_volume 478.598
_exptl_crystal_density_diffrn      4.759
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Tl1   0.10285   0.40501   0.58853   0.02514
Tl2   0.30897   0.57438   0.22068   0.02802
V1   0.90170   0.26252   0.19462   0.01242
S1   0.48350   0.17585   0.41880   0.01387
S2   0.64640   0.80802   0.04610   0.01404
O1   0.38700   0.06070   0.46520   0.03000
Wat2   0.04630   0.08140   0.12250   0.02380
O3   0.79230   0.39000   0.24490   0.02160
O4   0.64570   0.24280   0.53870   0.02500
O5   0.66530   0.15380   0.30270   0.02100
O6   0.82740   0.83230   0.93010   0.02160
O7   0.80550   0.73780   0.16310   0.02480
O8   0.55750   0.92630   0.09510   0.02730
O9   0.38890   0.73540   0.98300   0.02070
O10   0.23410   0.25310   0.35750   0.02460
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 0.02858 0.02149 0.02506 -0.00200 0.00291 -0.00240
Tl2 0.03550 0.02296 0.02550 -0.00320 0.00434 -0.00130
V1 0.01200 0.01120 0.01390 0.00170 0.00130 -0.00090
S1 0.01320 0.01440 0.01370 -0.00080 0.00100 0.00160
S2 0.01460 0.01450 0.01280 0.00000 0.00130 -0.00230
O1 0.03600 0.02400 0.03100 -0.01200 0.00700 0.01100
Wat2 0.02330 0.01640 0.03080 0.00200 0.00100 -0.00700
O3 0.02280 0.01540 0.02720 0.00300 0.00600 -0.00400
O4 0.02840 0.02840 0.01590 -0.00600 -0.00500 -0.00400
O5 0.02330 0.01540 0.02630 0.00000 0.01100 -0.00100
O6 0.02070 0.02070 0.02580 0.00300 0.01200 0.00400
O7 0.02530 0.03010 0.01660 0.00000 -0.00400 0.00600
O8 0.03200 0.01890 0.03100 0.00300 0.00700 -0.01100
O9 0.01950 0.02010 0.02060 -0.00600 -0.00300 0.00100
O10 0.02070 0.03270 0.01840 0.00700 -0.00400 -0.00600