data_9007588
_chemical_name '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
 Locality: 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
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_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