#------------------------------------------------------------------------------
#$Date: 2015-10-12 23:59:48 +0200 (lun 12 de oct de 2015) $
#$Revision: 166895 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/42/8104256.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_8104256
loop_
_publ_author_name
'Meier, W.M.'
'Shoemaker, D.P.'
_publ_section_title
;
 The structure of a bromine sorption complex in synthetic zeolite sodium-A
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              357
_journal_page_last               364
_journal_volume                  123
_journal_year                    1966
_chemical_formula_sum            'Al7.9992 Br10.56 Na8 O48 Si16.0008'
_chemical_name_systematic        '(Na8 (Al8 Si16 O48) (H2 O)24) (Br2)5.28'
_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                   12.3
_cell_length_b                   12.3
_cell_length_c                   12.3
_cell_volume                     1860.867
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Meier_ZEKGAX_1966_1781.cif
_cod_data_source_block           Al7.9992Br10.56Na8O48Si16.0008
_cod_database_code               8104256
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
Br1 Br 0.3415 0.474 0.3045 0.22 0.0
Al1 Al+3 0 0.185 0.3735 0.3333 0.0
Si1 Si+4 0 0.185 0.3735 0.6667 0.0
O1 O-2 0 0.232 0.5 1 0.0
O2 O-2 0 0.294 0.294 1 0.0
O3 O-2 0.115 0.115 0.339 1 0.0
Na1 Na+1 0.214 0.214 0.214 1 0.0
