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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/82/1528291.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_1528291
loop_
_publ_author_name
'Ahrens, M.'
'Scholz, G.'
'Kemnitz, E.'
_publ_section_title
;
 Synthesis and crystal structure of Rb K Li Al F6 - the first
 Al-elpasolite with three different alkali metals
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2978
_journal_page_last               2981
_journal_volume                  634
_journal_year                    2008
_chemical_formula_sum            'Al F6 K1.04 Li Rb0.96'
_chemical_name_systematic        '(Rb0.96 K1.04) Li Al F6'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   5.71942
_cell_length_b                   5.71942
_cell_length_c                   27.8655
_cell_volume                     789.408
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Ahrens_ZAACAB_2008_1640.cif
_cod_data_source_block           Al1F6K1.04Li1Rb0.96
_cod_original_cell_volume        789.4078
_cod_original_formula_sum        'Al1 F6 K1.04 Li1 Rb0.96'
_cod_database_code               1528291
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Li1 Li+1 0 0 0.4034 1 0.0
Rb2 Rb+1 0 0 0.2816 0.582 0.0
K1 K+1 0 0 0.12746 0.624 0.0
Al1 Al+3 0 0 0 1 0.0
F1 F-1 0.1444 -0.1444 0.46065 1 0.0
Al2 Al+3 0 0 0.5 1 0.0
K2 K+1 0 0 0.2816 0.42 0.0
Rb1 Rb+1 0 0 0.12746 0.378 0.0
F2 F-1 0.1824 -0.1824 0.62998 1 0.0
