#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/74/2107414.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107414
loop_
_publ_author_name
'Schellhaas, F.'
'Hartl, H.'
'Frydrych, R.'
_publ_section_title
;
 Die Kristallstruktur von Kaliumhexajodatogermanat(IV)
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2834
_journal_page_last               2838
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Ge I6 K2 O18'
_chemical_name_systematic        'K2 Ge (I O3)6'
_space_group_IT_number           148
_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                   11.164
_cell_length_b                   11.164
_cell_length_c                   11.336
_cell_volume                     1223.574
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Schellhaas_ACBCAR_1972_600.cif
_cod_data_source_block           Ge1I6K2O18
_cod_original_formula_sum        'Ge1 I6 K2 O18'
_cod_database_code               2107414
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O3 O-2 0.61514 0.82525 0.9707 1 0.0
I1 I+5 0.68806 0.94321 0.10677 1 0.0
O2 O-2 0.84363 0.92292 0.10169 1 0.0
K1 K+1 0 0 0.32786 1 0.0
O1 O-2 0.60376 0.80838 0.21452 1 0.0
Ge1 Ge+4 0 0 0 1 0.0
