data_global
_chemical_name_mineral 'Chrysothallite'
loop_
_publ_author_name
'Pekov I V'
'Zubkova N V'
'Belakovskiy D I'
'Yapaskurt V O'
'Vigasina M F'
'Lykova I S'
'Sidorov E G'
'Pushcharovsky D Y'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 79 
_journal_year 2015
_journal_page_first 365
_journal_page_last 376
_publ_section_title
;
 Chrysothallite K6Cu6Tl3+Cl17(OH)4*H2O, a new mineral species from
 the Tolbachik volcano, Kamchatka, Russia
;
_database_code_amcsd 0020698
_chemical_compound_source 'Tolbachik volcano, Kamchatka, Russia'
_chemical_formula_sum 'K12 (Cu11.376 Zn.624) Tl1.884 Cl33.8 O10 H11.6'
_cell_length_a 11.3689
_cell_length_b 11.3689
_cell_length_c 26.207
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3387.304
_exptl_crystal_density_diffrn      2.930
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-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
K1   0.21040   0.21040   0.59487   1.00000   0.03890
K2   0.00000   0.00000   0.72070   1.00000   0.02260
K3   0.00000   0.50000   0.50000   1.00000   0.06900
Cu1   0.00000   0.50000   0.65620   0.94800   0.01700
Zn1   0.00000   0.50000   0.65620   0.05200   0.01700
Cu2   0.14638   0.64638   0.75000   0.94800   0.01660
Zn2   0.14638   0.64638   0.75000   0.05200   0.01660
Tl1   0.00000   0.00000   0.50000   0.88400   0.01940
Cl1   0.22980   0.00000   0.50000   0.95000   0.04000
Cl2   0.00000   0.00000   0.59410   1.00000   0.03300
Cl3   0.14940   0.50000   0.59848   1.00000   0.03220
Cl4   0.00000   0.25890   0.67703   1.00000   0.02310
Cl5   0.32190   0.32190   0.70693   1.00000   0.01900
Tl2   0.45600   0.45600   0.53020   0.12500   0.06200
Cl6a   0.37580   0.37580   0.50000   0.50000   0.09900
Cl6b   0.31350   0.31350   0.50000   0.50000   0.08400
O   0.00000   0.37690   0.78890   1.00000   0.01100
H   0.00000   0.31300   0.80900   0.95000   0.01300
Wat   0.50000   0.50000   0.61580   1.00000   0.06600