#------------------------------------------------------------------------------
#$Date: 2015-10-09 14:25:18 +0200 (vie 09 de oct de 2015) $
#$Revision: 161960 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/48/1534896.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_1534896
loop_
_publ_author_name
'Beagley, B.'
'Henderson, C.M.B.'
'Taylor, D.'
_publ_section_title
;
 The crystal structures of aluminoslicate-sodalites: X-ray diffraction
 studies and computer modelling
;
_journal_name_full               'Mineralogical Magazine (1969-)'
_journal_page_first              459
_journal_page_last               464
_journal_volume                  46
_journal_year                    1982
_chemical_formula_sum            'Al6 Cl2 K8 O24 Si6'
_chemical_name_systematic        'K8 (Al6 Si6 O24) Cl2'
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.253
_cell_length_b                   9.253
_cell_length_c                   9.253
_cell_volume                     792.223
_citation_journal_id_ASTM        MNLMBB
_cod_data_source_file            Beagley_MNLMBB_1982_247.cif
_cod_data_source_block           Al6Cl2K8O24Si6
_cod_original_cell_volume        792.2235
_cod_database_code               1534896
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y+1/2,-x+1/2,-z+1/2
-x,-y,z
-y+1/2,x+1/2,-z+1/2
x,-y,-z
-y+1/2,-x+1/2,z+1/2
-x,y,-z
y+1/2,x+1/2,z+1/2
z,x,y
x+1/2,-z+1/2,-y+1/2
-z,-x,y
-x+1/2,z+1/2,-y+1/2
z,-x,-y
-x+1/2,-z+1/2,y+1/2
-z,x,-y
x+1/2,z+1/2,y+1/2
y,z,x
y,-z,-x
-z+1/2,-y+1/2,x+1/2
-y,z,-x
z+1/2,y+1/2,x+1/2
-y,-z,x
-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
K1 K+1 0.1876 0.1876 0.1876 1 0.0
O1 O-2 0.1586 0.1363 0.4786 1 0.0
Al1 Al+3 0.25 0.5 0 1 0.0
Cl1 Cl-1 0 0 0 1 0.0
Si1 Si+4 0.25 0 0.5 1 0.0
