#------------------------------------------------------------------------------
#$Date: 2015-09-28 14:52:38 +0100 (Mon, 28 Sep 2015) $
#$Revision: 158801 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/28/1532814.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_1532814
loop_
_publ_author_name
'Liang Jingkui'
'Yu Yu-De'
'Ding Shiling'
_publ_section_title
;
 The structure and phase transitions of magnesium iodate crystals
;
_journal_name_full               'Wu Li Hsueh Pao (= Acta Physica Sinica)'
_journal_page_first              710
_journal_page_last               722
_journal_volume                  27
_journal_year                    1978
_chemical_formula_sum            'I2 Mg O6'
_chemical_name_systematic        'Mg (I O3)2'
_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            1
_cell_length_a                   5.4777
_cell_length_b                   5.4777
_cell_length_c                   5.1282
_cell_volume                     133.258
_citation_journal_id_ASTM        WLHPAR
_cod_data_source_file            LiangJingkui_WLHPAR_1978_170.cif
_cod_data_source_block           I2Mg1O6
_cod_original_cell_volume        133.2576
_cod_chemical_formula_sum_orig   'I2 Mg1 O6'
_cod_database_code               1532814
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
I1 I+5 0.3333 0.6667 0 1 0.0
Mg1 Mg+2 0 0 0.981 0.5 0.0
O1 O-2 0.096 0.344 0.162 1 0.0