#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/23/1532390.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_1532390
loop_
_publ_author_name
'Yanagida, R.Y.'
'Seff, K.'
_publ_section_title
;
 The Crystal Structure of an Ammonia Sorption Complex of Zeolite 4A
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2597
_journal_page_last               2601
_journal_volume                  76
_journal_year                    1972
_chemical_formula_sum            'Al11 H96 N32 Na11 O48 Si13'
_chemical_name_systematic        'Na11 Al11 Si13 O48 (N H3)32'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.29
_cell_length_b                   12.29
_cell_length_c                   12.29
_cell_volume                     1856.332
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Yanagida_JPCHAX_1972_160.cif
_cod_data_source_block           H96Al11N32Na11O48Si13
_cod_original_formula_sum        'H96 Al11 N32 Na11 O48 Si13'
_cod_database_code               1532390
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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
O3 O-2 0.113 0.113 0.338 1 0.0
O2 O-2 0 0.294 0.294 1 0.0
N2 N-3 0 0 0.147 0.67 0.0
Si1 Si+4 0 0.182 0.372 0.5417 0.0
N3 N-3 0.32 0.32 0.32 1 0.0
Na2 Na+1 0.056 0.445 0.445 0.125 0.0
Al1 Al+3 0 0.182 0.372 0.4583 0.0
N1 N-3 0.102 0.102 0.102 1 0.0
O1 O-2 0 0.222 0.5 1 0.0
N4 N-3 0.233 0.294 0.5 0.5 0.0
Na1 Na+1 0.217 0.217 0.217 1 0.0
