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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/1/53/95/1539518.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_1539518
loop_
_publ_author_name
'Akizuki, M.'
'Kudoh, Y.'
'Satoh, Y.'
_publ_section_title
;
 Crystal structure of the orthorhombic (001) growth sector of stilbite
;
_journal_name_full               'European Journal of Mineralogy (1,1989-)'
_journal_page_first              839
_journal_page_last               843
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Al10 Ca4 H58.24 Na0.72 O101.12 Si26'
_chemical_name_systematic        'Na0.72 Ca4 (Al10 Si26 O72) (H2 O)29.12'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.616
_cell_length_b                   18.238
_cell_length_c                   17.835
_cell_volume                     4428.941
_citation_journal_id_ASTM        EJMIER
_cod_data_source_file            Akizuki_EJMIER_1993_1678.cif
_cod_data_source_block           H58.24Al10Ca4Na0.72O101.12Si26
_cod_original_formula_sum        'H58.24 Al10 Ca4 Na0.72 O101.12 Si26'
_cod_database_code               1539518
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
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
O12 O-2 0.1426 0.4171 0.3135 0.42 0.0
O11 O-2 0.1334 0.5 0.3749 0.4 0.0
O4 O-2 0.5 0.3161 0.3477 1 0.0
Al2 Al+3 0.3023 0.411 0.5 0.2778 0.0
O3 O-2 0.356 0.3802 0.4238 1 0.0
O9 O-2 0.0417 0.5 0.422 0.46 0.0
O1 O-2 0.3183 0.3039 0.3013 1 0.0
O10 O-2 0.0998 0.5 0.177 0.97 0.0
Al4 Al+3 0.25 0.25 0.25 0.2778 0.0
O8 O-2 0 0.3728 0.302 0.97 0.0
Si1 Si+4 0.386 0.307 0.3764 0.7222 0.0
O2 O-2 0.3719 0.2321 0.4249 1 0.0
O6 O-2 0.3083 0.5 0.5 1 0.0
O7 O-2 0.5 0.1493 0.5 1 0.0
Si3 Si+4 0.3883 0.1831 0.5 0.7222 0.0
Ca1 Ca+2 0.5 0 0.2939 1 0.0
Al1 Al+3 0.386 0.307 0.3764 0.2778 0.0
Si4 Si+4 0.25 0.25 0.25 0.7222 0.0
Al3 Al+3 0.3883 0.1831 0.5 0.2778 0.0
O5 O-2 0.3158 0.1136 0.5 1 0.0
Si2 Si+4 0.3023 0.411 0.5 0.7222 0.0
Na1 Na+1 0.202 0.4442 0.2782 0.045 0.0
