#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/83/1008360.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_1008360
_chemical_name_systematic          'Potassium dihydrogen triiodate'
_chemical_formula_structural       'K H2 (I O3)3'
_chemical_formula_sum              'H2 I3 K O9'
_publ_section_title
;
Crystal structure and proton conductivity of N H~4~ H~2~ (I O~3~)~3~
and K H~2~ (I O~3~)~3~
;
loop_
_publ_author_name
  'Bordet, P'
  'Boucherle, J-X'
  'Santoro, A'
  'Marezio, M'
_journal_name_full                 'Solid State Ionics'
_journal_coden_ASTM                SSIOD3
_journal_volume                    21
_journal_year                      1986
_journal_page_first                243
_journal_page_last                 254
_cell_length_a                     8.266(2)
_cell_length_b                     8.200(2)
_cell_length_c                     8.180(2)
_cell_angle_alpha                  66.08(2)
_cell_angle_beta                   60.16(2)
_cell_angle_gamma                  71.06(2)
_cell_volume                       434.3
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  I5+    5.000
  O2-   -2.000
  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    I5+    2 i 0.8141(3) 0.1865(2) 0.7547(3) 1.  0 d
  I2    I5+    2 i 0.2392(3) 0.7348(2) 0.7778(3) 1.  0 d
  I3    I5+    2 i 0.3036(3) 0.2006(2) 0.7819(3) 1.  0 d
  O1    O2-    2 i 0.7757(3) 0.4264(2) 0.6021(3) 1.  0 d
  O2    O2-    2 i 0.8351(3) 0.0821(2) 0.5803(3) 1.  0 d
  O3    O2-    2 i 0.1216(3) 0.5542(2) 0.8209(4) 1.  0 d
  O4    O2-    2 i 0.4721(3) 0.6589(2) 0.6122(3) 1.  0 d
  O5    O2-    2 i 0.4648(3) 0.2311(2) 0.8520(3) 1.  0 d
  O6    O2-    2 i 0.0601(3) 0.1841(2) 0.6600(3) 1.  0 d
  O7    O2-    2 i 0.4040(2) -0.0211(2) 0.7513(3) 1.  0 d
  O8    O2-    2 i 0.2631(3) 0.6405(2) 0.0070(3) 1.  0 d
  O9    O2-    2 i 0.1180(3) 0.1359(2) 0.0323(3) 1.  0 d
  K1    K1+    2 i 0.7240(5) 0.7200(3) 0.7619(5) 1.  0 d
  H1    H1+    2 i 0.3608(6) 0.5260(4) 0.3668(6) 1.  0 d
  H2    H1+    2 i -0.021(7) 0.477(3) 0.038(5) 0.5  0 d
  H3    H1+    2 i 0.035(2) -0.019(2) 0.475(2) 0.5  0 d
_refine_ls_R_factor_all            0.028
_cod_database_code 1008360