data_global
_chemical_name_mineral 'Parageorgbokiite'
loop_
_publ_author_name
'Krivovichev S V'
'Filatov S K'
'Burns P C'
'Vergasova L P'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 45 
_journal_year 2007
_journal_page_first 929
_journal_page_last 934
_publ_section_title
;
 The crystal structure of parageorgbokiite, B-Cu5O2(SeO3)2Cl2
;
_database_code_amcsd 0006151
_chemical_compound_source 'Great Fissure Tolbachik eruption, Kamchatka Peninsula, Russia'
_chemical_formula_sum 'Cu5 Se2 Cl2 O8'
_cell_length_a 5.3982
_cell_length_b 8.0543
_cell_length_c 11.1277
_cell_angle_alpha 90
_cell_angle_beta 99.258
_cell_angle_gamma 90
_cell_volume 477.516
_exptl_crystal_density_diffrn      4.691
_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
_atom_site_U_iso_or_equiv
Cu1   0.52244   0.20949   0.38388   0.01360
Cu2   0.00000   0.50000   0.50000   0.01260
Cu3   0.47613   0.57640   0.38012   0.01160
Se   0.13167   0.90880   0.28438   0.01080
Cl   0.72210   0.85130   0.47423   0.01970
O1   0.67240   0.39800   0.47290   0.01080
O2   0.34640   0.05840   0.25990   0.01530
O3   0.28460   0.73240   0.25110   0.01350
O4  -0.08340   0.93110   0.15900   0.01510
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
Cu1 0.01630 0.01450 0.01080 -0.00390 0.00440 -0.00290
Cu2 0.00960 0.01740 0.01070 -0.00250 0.00200 -0.00100
Cu3 0.01280 0.01330 0.00940 0.00218 0.00340 0.00120
Se 0.01170 0.01230 0.00900 -0.00031 0.00330 0.00030
Cl 0.02150 0.02440 0.01490 -0.00570 0.00760 -0.00160
O1 0.01020 0.01380 0.00880 -0.00100 0.00300 -0.00050
O2 0.01840 0.01750 0.01140 -0.00890 0.00630 -0.00450
O3 0.01710 0.01250 0.01140 0.00510 0.00350 0.00470
O4 0.01190 0.02210 0.01180 0.00060 0.00360 0.00510