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#$Date: 2015-10-14 18:54:46 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168925 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/98/1539851.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_1539851
loop_
_publ_author_name
'de Haan, Y.M.'
_publ_section_title
;
 Structure refinements, thermal motion and Madelung constants of cadmium
 iodide- and cadmium hydroxide-type layer structures
;
_journal_name_full
'National Bureau of Standards (U.S.), Special Publication'
_journal_page_first              233
_journal_page_last               236
_journal_volume                  1969
_journal_year                    1969
_chemical_formula_sum            'Cd I2'
_chemical_name_systematic        'Cd I2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.244
_cell_length_b                   4.244
_cell_length_c                   6.859
_cell_volume                     106.990
_citation_journal_id_ASTM        XNBSAV
_cod_data_source_file            deHaan_XNBSAV_1969_593.cif
_cod_data_source_block           Cd1I2
_cod_original_cell_volume        106.9898
_cod_chemical_formula_sum_orig   'Cd1 I2'
_cod_database_code               1539851
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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
Cd1 Cd+2 0 0 0 1 0.0
I1 I-1 0.3333 0.6667 0.2492 1 0.0