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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/4/12/45/4124503.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_4124503
loop_
_publ_author_name
'Lee, Y.'
'Vogt, T.'
'Parise, J.B.'
'Hriljac, J.A.'
'Artioli, G.'
_publ_section_title
;
 Pressure-induced volume expansion of zeolites in the natrolite family
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5466
_journal_page_last               5475
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'Al16 H32 Na16 O96 Si24'
_chemical_name_systematic        'Na16 (Al16 Si24 O80) (H2 O)16'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   18.226
_cell_length_b                   18.583
_cell_length_c                   6.579
_cell_volume                     2228.266
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Lee_JACSAT_2002_332.cif
_cod_data_source_block           H32Al16Na16O96Si24
_cod_original_formula_sum        'H32 Al16 Na16 O96 Si24'
_cod_database_code               4124503
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/4,y+1/4,z+1/4
x+3/4,-y+3/4,z+1/4
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/4,y+3/4,z+3/4
x+3/4,-y+5/4,z+3/4
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+3/4,y+1/4,z+3/4
x+5/4,-y+3/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+3/4,y+3/4,z+1/4
x+5/4,-y+5/4,z+1/4
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 0.0662 0.1861 0.608 1 0.0
O4 O-2 0.2018 0.1569 0.7219 1 0.0
Si2 Si+4 0.1493 0.2168 0.618 1 0.0
O1 O-2 0.017 0.0695 0.8592 1 0.0
O3 O-2 0.0991 0.0404 0.4997 1 0.0
Na1 Na+1 0.22 0.035 0.623 1 0.0
O6 O-2 0.059 0.19 0.11 1 0.0
O5 O-2 0.1791 0.2335 0.3909 1 0.0
Si1 Si+4 0 0 0 1 0.0
Al1 Al+3 0.0338 0.0975 0.6095 1 0.0
