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#$Date: 2016-09-18 04:11:18 +0300 (Sun, 18 Sep 2016) $
#$Revision: 186633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/82/1008208.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_1008208
loop_
_publ_author_name
'Averbuch-Pouchot, M T'
_publ_section_title
;
Crystal Chemistry of Some Addition Compounds of Alkali Iodates with
Telluric Acid
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              368
_journal_page_last               378
_journal_paper_doi               10.1016/S0022-4596(83)80015-2
_journal_volume                  49
_journal_year                    1983
_chemical_formula_structural     '(K I O3)2 Te (O H)6'
_chemical_formula_sum            'H6 I2 K2 O12 Te'
_chemical_name_systematic        'Bis(potassium iodate) telluric acid'
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.482(5)
_cell_length_b                   6.482(5)
_cell_length_c                   25.664(8)
_cell_volume                     933.8
_refine_ls_R_factor_all          0.035
_cod_original_sg_symbol_H-M      'R -3 H'
_cod_database_code               1008208
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
1/3+x,2/3+y,2/3+z
2/3+x,1/3+y,1/3+z
1/3-y,2/3+x-y,2/3+z
2/3-y,1/3+x-y,1/3+z
1/3-x+y,2/3-x,2/3+z
2/3-x+y,1/3-x,1/3+z
1/3-x,2/3-y,2/3-z
2/3-x,1/3-y,1/3-z
1/3+y,2/3-x+y,2/3-z
2/3+y,1/3-x+y,1/3-z
1/3+x-y,2/3+x,2/3-z
2/3+x-y,1/3+x,1/3-z
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
Te1 Te6+ 3 a 0. 0. 0. 1. 0 d
I1 I5+ 6 c 0. 0. 0.17835(2) 1. 0 d
K1 K1+ 6 c 0. 0. 0.4047(1) 1. 0 d
O1 O2- 18 f 0.2550(6) 0.0219(6) 0.0413(2) 1. 1 d
O2 O2- 18 f 0.2444(5) -0.0048(5) 0.2110(1) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Te6+ 6.000
I5+ 5.000
K1+ 1.000
O2- -2.000
H1+ 1.000
