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#$Date: 2014-07-11 17:35:18 +0300 (Fri, 11 Jul 2014) $
#$Revision: 120071 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/71/1007184.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1007184
_chemical_name_systematic
;
Tetrapotassium bis(dihydrogeniodato(VII))cuprate(III) superoxide
hexahydrate
;
_chemical_formula_structural       'K4 Cu (I O6 H2)2 (O2) (H2 O)6'
_chemical_formula_sum            'Cu H16 I2 K4 O20'
_[local]_cod_chemical_formula_sum_orig 'H16 Cu I2 K4 O20'
_publ_section_title
;
A Copper(III) Periodate Peroxo Complex: K~4~ H~4~ Cu (I O~6~)~2~ O~2~
6(H~2~ O)
;
loop_
_publ_author_name
  'Masse, R'
  'Durif, A'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    73
_journal_year                      1988
_journal_page_first                206
_journal_page_last                 210
_cell_length_a                     12.650(2)
_cell_length_b                     9.780(2)
_cell_length_c                     7.710(2)
_cell_angle_alpha                  90
_cell_angle_beta                   95.2(1)
_cell_angle_gamma                  90
_cell_volume                       949.9
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P 1 21/n 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  '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_type_symbol
_atom_type_oxidation_number
  I7+    7.000
  Cu3+   3.000
  O2-   -2.000
  O0-   -0.500
  K1+    1.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  I1    I7+    4 e 0.01689(3) 0.26716(4) 0.14655(6) 1.  0 d
  Cu1   Cu3+   2 a 0. 0. 0. 1.  0 d
  O1    O2-    4 e 0.9755(5) 0.1922(6) 0.3477(8) 1.  0 d
  O2    O2-    4 e 0.9190(4) 0.4039(5) 0.1429(7) 1.  0 d
  O3    O2-    4 e 0.1036(4) 0.1091(5) 0.1054(7) 1.  0 d
  O4    O2-    4 e 0.4177(4) 0.3491(5) 0.5083(7) 1.  0 d
  O5    O2-    4 e 0.1305(5) 0.3573(6) 0.2513(8) 1.  0 d
  O6    O2-    4 e 0.5592(5) 0.1702(6) 0.4201(7) 1.  1 d
  O7    O0-    4 e 0.4964(4) 0.0497(6) 0.0463(6) 1.  1 d
  O8    O2-    4 e 0.6168(6) 0.4421(8) 0.096(1) 1.  2 d
  O9    O2-    4 e 0.7153(5) 0.0984(7) 0.0775(9) 1.  2 d
  O10   O2-    4 e 0.376(1) 0.233(2) 0.146(1) 1.  2 d
  K1    K1+    4 e 0.745(1) 0.3083(2) 0.3401(2) 1.  0 d
  K2    K1+    4 e 0.2694(2) 0.0823(4) 0.3564(3) 1.  0 d
_refine_ls_R_factor_all            0.038
_cod_database_code 1007184
_journal_paper_doi 10.1016/0022-4596(88)90070-9