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#$Date: 2015-09-17 03:32:27 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156442 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103736.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_8103736
loop_
_publ_author_name
'Barrer, R.M.'
'Robinson, D.J.'
_publ_section_title
;
 The structures of the 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 Ba13.04 Br15.84 O192 Si66'
_chemical_name_systematic        '(Ba5.12 (Al30 Si66 O192)) (Ba Br2)7.92'
_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                   18.66
_cell_length_b                   18.66
_cell_length_c                   18.66
_cell_volume                     6497.330
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Barrer_ZEKGAX_1972_749.cif
_cod_data_source_block           Al30Ba13.04Br15.84O192Si66
_cod_original_cell_volume        6497.33
_cod_database_code               8103736
loop_
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x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
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z+1/2,y+1/2,x+1/2
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-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+1/2
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
Br2 Br-1 0 0.2065 0 0.18 0.0
Br1 Br-1 0.3998 0.3998 0 0.57 0.0
Al1 Al+3 0.0795 0.2031 0.3175 0.313 0.0
Ba3 Ba+2 0.3998 0.3998 0.3998 0.2 0.0
Si1 Si+4 0.0795 0.2031 0.3175 0.687 0.0
O4 O-2 0.25 0.1178 0.3822 1 0.0
Ba1 Ba+2 0 0.25 0.5 0.48 0.0
O2 O-2 0.2471 0.2471 0.384 1 0.0
O1 O-2 0.1206 0.1206 0.3253 1 0.0
Ba2 Ba+2 0 0.3821 0 0.34 0.0
O3 O-2 0 0.1705 0.3497 1 0.0
