#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529715.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_1529715
loop_
_publ_author_name
'Calligaris, M.'
'Nardin, G.'
_publ_section_title
;
 Cation site location in hydrated chabazites. Crystal structure of barium-
 and cadmium- exchanged chabazites
;
_journal_name_full               Zeolites
_journal_page_first              200
_journal_page_last               204
_journal_volume                  2
_journal_year                    1982
_chemical_formula_sum            'Al3.72 Cd1.68 H21.12 O34.56 Si8.28'
_chemical_name_systematic        'Cd1.68 (Si8.28 Al3.72 O24) (H2 O)10.56'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                94.66
_cell_angle_beta                 94.66
_cell_angle_gamma                94.66
_cell_formula_units_Z            1
_cell_length_a                   9.435
_cell_length_b                   9.435
_cell_length_c                   9.435
_cell_volume                     831.084
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Calligaris_ZEOLD3_1982_973.cif
_cod_data_source_block           H21.12Al3.72Cd1.68O34.56Si8.28
_cod_original_cell_volume        831.0844
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_original_formula_sum        'H21.12 Al3.72 Cd1.68 O34.56 Si8.28'
_cod_database_code               1529715
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
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 0.2573 0.2573 0.8948 1 0.0
O6 O-2 0.4248 0.4248 0.3207 0.58 0.0
O8 O-2 0.6397 0.6397 0.4121 0.38 0.0
Al1 Al+3 0.1059 0.3333 0.8787 0.31 0.0
O7 O-2 0.2089 0.5248 0.2983 0.25 0.0
O4 O-2 0.0289 0.0289 0.325 1 0.0
O1 O-2 0.2586 -0.2586 0 1 0.0
O2 O-2 0.1528 -0.1528 0.5 1 0.0
Si1 Si+4 0.1059 0.3333 0.8787 0.69 0.0
O5 O-2 0.5 0.5 0 0.6 0.0
Cd2 Cd+2 0.4067 0.4067 0.4067 0.1 0.0
Cd3 Cd+2 0.576 0.576 0.2004 0.19 0.0
Cd1 Cd+2 0.2226 0.2226 0.2226 0.17 0.0
