#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310421.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_2310421
loop_
_publ_author_name
'de Boer, J.L.'
'van Bolhuis, F.'
'Olthof-Hazekamp, R.'
'Vos, A.'
_publ_section_title
;
 Reinvestigation of the crystal structure of lithium iodate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              841
_journal_page_last               843
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'I Li O3'
_chemical_name_systematic        'Li (I O3)'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.478
_cell_length_b                   5.478
_cell_length_c                   5.17
_cell_volume                     134.359
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            deBoer_ACCRA9_1966_1083.cif
_cod_data_source_block           I1Li1O3
_cod_original_cell_volume        134.3585
_cod_original_formula_sum        'I1 Li1 O3'
_cod_database_code               2310421
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
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
O1 O-2 0.3425 0.094 0.9152 1 0.0
Li1 Li+1 0 0 0.661 1 0.0
I1 I+5 0.3333 0.6667 0.25 1 0.0
