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#$Date: 2015-09-17 03:35:31 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156443 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103737.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_8103737
loop_
_publ_author_name
'Barrer, R.M.'
'Robinson, D.J.'
_publ_section_title
;
 The structures of salt-bearing aluminosilicates, species P and Q
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              374
_journal_page_last               390
_journal_volume                  135
_journal_year                    1972
_chemical_formula_sum
'Al30.048 Ba8.88 Cl3.84 Na17.28 O243.96 Si65.952'
_chemical_name_systematic
;
Na17.28 Ba8.88 (Al30.048 Si65.952 O192) Cl3.84 (H2 O)70
;
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   18.78
_cell_length_b                   18.78
_cell_length_c                   18.78
_cell_volume                     6623.488
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Barrer_ZEKGAX_1972_756.cif
_cod_data_source_block           Al30.048Ba8.88Cl3.84Na17.28O243.96Si65.952
_cod_original_cell_volume        6623.489
_cod_database_code               8103737
loop_
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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
O5 O-2 0 0.1837 0.3206 1 0.0
Cl1 Cl-1 0 0 0.5 0.64 0.0
O3 O-2 0.1203 0.1203 0.3271 1 0.0
O6 O-2 0.25 0.1093 0.3907 1 0.0
O2 O-2 0 0.355 0 0.93 0.0
Ba1 Ba+2 0 0.25 0.5 0.74 0.0
O1 O-2 0 0.2123 0.0374 0.27 0.0
O4 O-2 0.2569 0.2569 0.3998 1 0.0
Na1 Na+1 0.1136 0.1136 0.1136 0.43 0.0
Si1 Si+4 0.0852 0.2 0.3186 0.687 0.0
Na2 Na+1 0.1582 0.1582 0.1582 0.65 0.0
Al1 Al+3 0.0852 0.2 0.3186 0.313 0.0
O7 O-2 0.4481 0.3752 0 0.58 0.0
