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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/1/52/68/1526849.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_1526849
loop_
_publ_author_name
'Lee, Y.-J.'
'Parise, J.B.'
'Tripathi, A.'
'Kim, S.-J.'
'Vogt, T.'
_publ_section_title
;
 Synthesis and crystal structures of gallium and germanium variants of
 cancrinite
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              445
_journal_page_last               455
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'Al6 Cs2 Ge7 H6 Na6 O30'
_chemical_name_systematic        'Na6 Cs2 (Al6 Ge6 O24) (Ge (O H)6)'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   12.968
_cell_length_b                   12.968
_cell_length_c                   5.132
_cell_volume                     747.418
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Lee_MIMMFJ_2000_250.cif
_cod_data_source_block           H6Al6Cs2Ge7Na6O30
_cod_original_cell_volume        747.4176
_cod_original_formula_sum        'H6 Al6 Cs2 Ge7 Na6 O30'
_cod_database_code               1526849
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+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
Cs1 Cs+1 0.3333 0.6667 0.2578 1 0.0
Al1 Al+3 0.0821 0.4181 0.75 1 0.0
O2 O-2 0.1404 0.571 0.7037 1 0.0
O5 O-2 0.1323 0.0376 0.4093 1 0.0
Ge2 Ge+4 0 0 0.1606 0.5 0.0
Ge1 Ge+4 0.3339 0.4181 0.7527 1 0.0
Na1 Na+1 0.1373 0.2732 0.259 1 0.0
O4 O-2 0.33 0.3807 0.0788 1 0.0
O3 O-2 0.0452 0.3733 0.0764 1 0.0
O1 O-2 0.1913 0.3842 0.6522 1 0.0
