data_global
_chemical_name_mineral 'Georgbokiite'
loop_
_publ_author_name
'Krivovichev S V'
'Shuvalov R R'
'Semenova T F'
'Filatov S K'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 214 
_journal_year 1999
_journal_page_first 135
_journal_page_last 138
_publ_section_title
;
 Crystal chemistry of inorganic compounds based on chains of oxocentered
 tetrahedra. III. Crystal structure of georgbokiite, Cu5O2(SeO3)2Cl2
;
_database_code_amcsd 0011082
_chemical_compound_source 'Tolbachik volcano, Kamchatka, Russia'
_chemical_formula_sum 'Cu5 Se2 O8 Cl2'
_cell_length_a 6.030
_cell_length_b 13.744
_cell_length_c 5.562
_cell_angle_alpha 90
_cell_angle_beta 95.75
_cell_angle_gamma 90
_cell_volume 458.639
_exptl_crystal_density_diffrn      4.885
_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   0.43040   0.18954   0.55520   0.01770
Cu2   0.50000   0.00000   0.00000   0.01630
Cu3   0.25930   0.99640   0.48680   0.01600
Se   0.06200   0.13521   0.89990   0.01490
O1   0.50300   0.06180   0.68050   0.01650
O2   0.22340   0.05960   0.07670   0.01860
O3   0.02700   0.07280   0.63300   0.01730
O4   0.24690   0.22160   0.81630   0.01890
Cl   0.67120   0.17500   0.26570   0.02090
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 0.02000 0.01710 0.01670 0.00200 0.00540 0.00160
Cu2 0.01550 0.02060 0.01300 0.00300 0.00280 0.00250
Cu3 0.01260 0.01910 0.01640 0.00050 0.00170 -0.00260
Se 0.01340 0.01740 0.01430 0.00090 0.00240 0.00030
O1 0.01500 0.02000 0.01500 -0.00200 0.00300 0.00000
O2 0.01200 0.02600 0.01800 0.00200 0.00200 0.00300
O3 0.01700 0.01700 0.01700 -0.00200 0.00100 -0.00300
O4 0.02100 0.01900 0.01600 -0.00300 0.00400 0.00300
Cl 0.02080 0.02390 0.01870 0.00270 0.00530 0.00250