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#$Date: 2015-09-17 03:32:15 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156441 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103735.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_8103735
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 Ba21.64 Cl16.44 O192 Si66'
_chemical_name_systematic        '(Ba13.42 (Al30 Si66 O192)) (Ba Cl2)8.22'
_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                   18.65
_cell_length_b                   18.65
_cell_length_c                   18.65
_cell_volume                     6486.890
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Barrer_ZEKGAX_1972_740.cif
_cod_data_source_block           Al30Ba21.64Cl16.44O192Si66
_cod_original_cell_volume        6486.889
_cod_database_code               8103735
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
Ba4 Ba+2 0.1413 0.1413 0.1413 0.34 0.0
O1 O-2 0.1268 0.1268 0.3156 1 0.0
O2 O-2 0.2574 0.2574 0.4039 1 0.0
Al1 Al+3 0.0814 0.1937 0.3211 0.313 0.0
Ba1 Ba+2 0 0.25 0.5 0.6 0.0
O3 O-2 0 0.1834 0.34 1 0.0
O4 O-2 0.25 0.1169 0.3831 1 0.0
Si1 Si+4 0.0814 0.1937 0.3211 0.687 0.0
Cl1 Cl-1 0.406 0 0 0.87 0.0
Ba2 Ba+2 0 0.3877 0 0.39 0.0
Ba3 Ba+2 0.1194 0.1194 0 0.18 0.0
Cl2 Cl-1 0 0.154 0 0.2 0.0
Cl3 Cl-1 0 0.254 0 0.3 0.0
