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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/13/1541317.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_1541317
loop_
_publ_author_name
'Norby, P.'
'Krogh Andersen, I.G.'
'Colella, C.'
'Krogh Andersen, E.'
'de'Gennaro, M.'
_publ_section_title
;
 Synthesis and structure of lithium cesium and lithium thallium
 cancrinites
;
_journal_name_full               Zeolites
_journal_page_first              248
_journal_page_last               253
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'Al6 Cs1.5 H11.16 Li4.56 O29.58 Si6'
_chemical_name_systematic        'Li4.56 Cs1.5 (Al6 Si6 O24) (H2 O)5.58'
_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                   12.4328
_cell_length_b                   12.4328
_cell_length_c                   4.9692
_cell_volume                     665.204
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Norby_ZEOLD3_1991_1415.cif
_cod_data_source_block           H11.16Al6Cs1.5Li4.56O29.58Si6
_cod_original_cell_volume        665.2043
_cod_original_formula_sum        'H11.16 Al6 Cs1.5 Li4.56 O29.58 Si6'
_cod_database_code               1541317
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
O4 O-2 0.3122 0.3619 0.0794 1 0.0
O5 O-2 0.0368 0.1493 0.3151 0.93 0.0
Al1 Al+3 0.0828 0.414 0.75 0.5 0.0
Cs1 Cs+1 0.3333 0.6667 0.2603 0.75 0.0
O1 O-2 0.2013 0.3972 0.6382 1 0.0
Al2 Al+3 0.3358 0.4134 0.7532 0.5 0.0
Si2 Si+4 0.3358 0.4134 0.7532 0.5 0.0
O2 O-2 0.1215 0.56 0.6982 1 0.0
O3 O-2 0.0573 0.3818 0.0784 1 0.0
Li1 Li+1 0.16 0.3249 0.288 0.76 0.0
Si1 Si+4 0.0828 0.414 0.75 0.5 0.0
