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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/42/8104214.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_8104214
loop_
_publ_author_name
'Gramlich, V.'
'Meier, W.M.'
_publ_section_title
;
 The crystal structure of hydrated Na N: A detailed refinement of a
 pseudosymmetric zeolite
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              134
_journal_page_last               149
_journal_volume                  133
_journal_year                    1971
_chemical_formula_sum            'Al12 H54 Na12 O75 Si12'
_chemical_name_systematic        'Na12 (Al12 Si12 O48) (H2 O)27'
_space_group_IT_number           226
_symmetry_space_group_name_Hall  '-F 4a 2 3'
_symmetry_space_group_name_H-M   'F m -3 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.61
_cell_length_b                   24.61
_cell_length_c                   24.61
_cell_volume                     14905.098
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Gramlich_ZEKGAX_1971_354.cif
_cod_data_source_block           H54Al12Na12O75Si12
_cod_original_cell_volume        14905.1
_cod_original_formula_sum        'H54 Al12 Na12 O75 Si12'
_cod_database_code               8104214
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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
Na1 Na+1 0.1064 0.1064 0.1064 1 0.0
O9 O-2 0.041 0.21 0.235 0.021 0.0
Si1 Si+4 0 0.0929 0.1844 1 0.0
O4 O-2 0.02 0.03 0.064 0.083 0.0
O8 O-2 0.167 0.1155 0.262 0.415 0.0
O5 O-2 0.03 0.02 0.064 0.083 0.0
Na2 Na+1 0.041 0.21 0.235 0.063 0.0
Al1 Al+3 0 0.1864 0.0902 1 0.0
O3 O-2 0.0538 0.0583 0.1704 1 0.0
O11 O-2 0.75 0.75 0.75 1 0.0
O6 O-2 0.1598 0.1598 0.1598 0.125 0.0
O7 O-2 0.1155 0.167 0.262 0.415 0.0
O1 O-2 0 0.1116 0.2473 1 0.0
Na4 Na+1 0.25 0.25 0.25 1 0.0
O10 O-2 0.21 0.041 0.235 0.021 0.0
Na3 Na+1 0.21 0.041 0.235 0.063 0.0
O2 O-2 0 0.1463 0.1476 1 0.0
