#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529727.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_1529727
loop_
_publ_author_name
'Cartlidge, S.'
'Meier, W.M.'
_publ_section_title
;
 Solid state transformations of synthetic CHA and EAB-type zeolites in the
 sodium form
;
_journal_name_full               Zeolites
_journal_page_first              218
_journal_page_last               225
_journal_volume                  4
_journal_year                    1984
_chemical_formula_sum            'Al11.1 H78 Na14.4 O111 Si24.9'
_chemical_name_systematic        'Na14.4 (Si24.9 Al11.1 O72) (H2 O)39'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   13.822
_cell_length_b                   13.822
_cell_length_c                   15.155
_cell_volume                     2507.427
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Cartlidge_ZEOLD3_1984_1049.cif
_cod_data_source_block           H78Al11.1Na14.4O111Si24.9
_cod_original_formula_sum        'H78 Al11.1 Na14.4 O111 Si24.9'
_cod_database_code               1529727
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
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
O4 O-2 -0.0932 0.0932 0.139 1 0.0
Na1 Na+1 0.44 0 0 0.7 0.0
O8 O-2 0 0 0.768 0.36 0.0
O1 O-2 0 0.2697 0 1 0.0
O2 O-2 -0.0238 0.3095 0.1667 1 0.0
O3 O-2 0.1248 0.2496 0.1282 1 0.0
O5 O-2 0.1032 0.2064 0.47 1 0.0
Si1 Si+4 -0.0013 0.2245 0.1053 0.7 0.0
O7 O-2 0 0 0.456 0.6 0.0
O6 O-2 0.7293 0.4586 0.016 0.84 0.0
Al1 Al+3 -0.0013 0.2245 0.1053 0.3 0.0
Na2 Na+1 0 0 0.124 0.3 0.0
