#------------------------------------------------------------------------------
#$Date: 2015-09-05 11:24:55 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154391 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529772.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_1529772
loop_
_publ_author_name
'Collin, G.'
'Colomban, P.'
'Comes, R.'
'Boilot, J.P.'
_publ_section_title
;
 Crystal structure and ion-ion correlation of ion-rich beta alumina type
 compounds. I. Magnesium doped potassium rich beta alumina
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              59
_journal_page_last               68
_journal_volume                  1
_journal_year                    1980
_chemical_formula_sum            'Al10.38 K1.62 Mg0.62 O17'
_chemical_name_systematic        'Al10.38 Mg0.62 K1.62 O17'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.608
_cell_length_b                   5.608
_cell_length_c                   22.56
_cell_volume                     614.449
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Collin_SSIOD3_1980_747.cif
_cod_data_source_block           Al10.38K1.62Mg0.62O17
_cod_original_cell_volume        614.4488
_cod_database_code               1529772
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
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
O2 O-2 0.1543 0.3086 0.0508 1 0.0
Al3 Al+3 0.3333 0.6667 0.1742 1 0.0
O1 O-2 0.5023 1.0046 0.1463 1 0.0
Al2 Al+3 0.3333 0.6667 0.0249 0.69 0.0
O5 O-2 0.3333 0.6667 0.25 1 0.0
K1 K+1 0.6716 1.3432 0.25 0.228 0.0
O3 O-2 0.6667 0.3333 0.057 1 0.0
Mg1 Mg+2 0.3333 0.6667 0.0249 0.31 0.0
O4 O-2 0 0 0.1434 1 0.0
Al1 Al+3 0.833 0.666 0.1056 1 0.0
Al4 Al+3 0 0 0 1 0.0
K2 K+1 0.8844 0.7688 0.25 0.313 0.0
