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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/64/1536461.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_1536461
loop_
_publ_author_name
'Kendrick, E.'
'Dann, S.'
_publ_section_title
;
 Synthesis properties and structure of ion exchanged hydrosodalite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1513
_journal_page_last               1519
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Al6 Cs0.144 H16 Na5.856 O32 Si6'
_chemical_name_systematic        '(Cs0.024 Na0.976)6 (Al Si O4)6 (H2 O)8'
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.8458
_cell_length_b                   8.8458
_cell_length_c                   8.8458
_cell_volume                     692.168
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Kendrick_JSSCBI_2004_1262.cif
_cod_data_source_block           H16Al6Cs0.144Na5.856O32Si6
_cod_original_cell_volume        692.1678
_cod_original_formula_sum        'H16 Al6 Cs0.144 Na5.856 O32 Si6'
_cod_database_code               1536461
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y+1/2,-x+1/2,-z+1/2
-x,-y,z
-y+1/2,x+1/2,-z+1/2
x,-y,-z
-y+1/2,-x+1/2,z+1/2
-x,y,-z
y+1/2,x+1/2,z+1/2
z,x,y
x+1/2,-z+1/2,-y+1/2
-z,-x,y
-x+1/2,z+1/2,-y+1/2
z,-x,-y
-x+1/2,-z+1/2,y+1/2
-z,x,-y
x+1/2,z+1/2,y+1/2
y,z,x
y,-z,-x
-z+1/2,-y+1/2,x+1/2
-y,z,-x
z+1/2,y+1/2,x+1/2
-y,-z,x
-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+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
O2 O-2 0.38436 0.38436 0.38436 1 0.0
Al1 Al+3 0.25 0 0.5 1 0.0
O1 O-2 0.13955 0.14873 0.4331 1 0.0
Cs1 Cs+1 0.15877 0.15877 0.15877 0.018 0.0
Si1 Si+4 0.25 0.5 0 1 0.0
Na1 Na+1 0.15877 0.15877 0.15877 0.732 0.0
