#------------------------------------------------------------------------------
#$Date: 2015-10-01 15:05:20 +0200 (jue 01 de oct de 2015) $
#$Revision: 159355 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/32/1533232.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_1533232
loop_
_publ_author_name
'Yakovleva, E.G.'
'Kovalev, Yu.G.'
'Kirik, S.D.'
_publ_section_title
;
 Synthesis and structural study of sillenite layered phases in the Bi - Cd
 - O - I system
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1956
_journal_page_last               1960
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'Bi1.5 Cd0.592 I1.7 O2'
_chemical_name_systematic        '(Bi1.5 Cd0.5) Cd0.092 O2 I1.7'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9809
_cell_length_b                   3.9809
_cell_length_c                   10.0461
_cell_volume                     159.206
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Yakovleva_ZNOKAQ_2002_1168.cif
_cod_data_source_block           Bi1.5Cd0.592I1.7O2
_cod_original_cell_volume        159.2062
_cod_database_code               1533232
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,z
y,x,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
Cd2 Cd+2 0.25 0.75 0.5 0.046 0.0
O1 O-2 0.25 0.75 0 1 0.0
Cd1 Cd+2 0.25 0.25 0.1152 0.25 0.0
I1 I-1 0.25 0.25 0.6445 0.85 0.0
Bi1 Bi+3 0.25 0.25 0.1152 0.75 0.0
