data_global
_chemical_name_mineral 'Bellingerite'
loop_
_publ_author_name
'Ghose S'
'Wan C'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 30 
_journal_year 1974
_journal_page_first 965
_journal_page_last 974
_publ_section_title
;
 Structural chemistry of copper and zinc minerals. II. Stereochemistry
 of copper(II) and iodine(V) in bellingerite, 3Cu(IO3)2.2H2O
;
_database_code_amcsd 0009503
_chemical_compound_source 'Chuquicamata, Chile'
_chemical_formula_sum 'Cu3 I6 O20 H4'
_cell_length_a 7.2560
_cell_length_b 7.9503
_cell_length_c 7.8559
_cell_angle_alpha 105.096
_cell_angle_beta 92.945
_cell_angle_gamma 96.952
_cell_volume 432.702
_exptl_crystal_density_diffrn      4.897
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.00000   0.00000   0.00000
Cu2   0.39635   0.57637   0.35154
I1   0.60934   0.13645   0.86911
I2   0.85790   0.15515   0.39779
I3   0.18703   0.40381   0.85862
O1   0.52811   0.08006   0.19016
O2   0.57102   0.17900   0.65384
O3   0.83655   0.06418   0.83178
O4   0.79211   0.37298   0.48187
O5   0.08512   0.18993   0.51917
O6   0.92966   0.19106   0.18930
O7   0.41073   0.49592   0.80969
O8   0.80763   0.45422   0.91725
O9   0.24170   0.20405   0.90261
Wat10   0.37102   0.34132   0.38730
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 0.02014 0.02022 0.01669 0.00713 0.00239 0.00262
Cu2 0.02136 0.01622 0.01843 0.00531 0.00747 0.00687
I1 0.01787 0.01320 0.01441 0.00254 0.00415 0.00422
I2 0.01771 0.01458 0.01614 0.00246 0.00431 0.00384
I3 0.01677 0.01742 0.01600 0.00301 0.00382 0.00192
O1 0.02622 0.01642 0.02060 0.00055 0.00063 0.00434
O2 0.02546 0.01674 0.01903 0.00309 0.00110 0.00512
O3 0.01779 0.03343 0.02138 0.00909 0.00563 0.00754
O4 0.02379 0.01943 0.02745 0.00765 0.01231 0.00649
O5 0.02830 0.01879 0.02031 0.00086 0.00404 0.00364
O6 0.02233 0.02426 0.01799 0.00406 0.00720 0.00626
O7 0.01964 0.02459 0.02641 0.00365 0.01308 0.00882
O8 0.01907 0.02309 0.01605 0.00240 0.00678 0.00140
O9 0.02723 0.02093 0.02661 0.00130 0.00657 0.00879
Wat10 0.02442 0.01610 0.02615 0.00191 0.00821 0.00599