#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/10/2311021.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2311021
loop_
_publ_author_name
'Winkler, H.G.F.'
_publ_section_title
;
 Betrachtungen zur Polymorphie. Die Polymorphie des K2 Li (Al F6)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              33
_journal_page_last               40
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'Al F6 K2 Li'
_chemical_name_systematic        'K2 Li (Al F6)'
_space_group_IT_number           156
_symmetry_space_group_name_Hall  'P 3 -2"'
_symmetry_space_group_name_H-M   'P 3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.6145
_cell_length_b                   5.6145
_cell_length_c                   13.754
_cell_volume                     375.476
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Winkler_ACCRA9_1954_1999.cif
_cod_data_source_block           Al1F6K2Li1
_cod_original_cell_volume        375.4757
_cod_original_formula_sum        'Al1 F6 K2 Li1'
_cod_database_code               2311021
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
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
Li2 Li+1 0.6667 0.3333 0.5 1 0.0
F6 F-1 0.509 0.491 0.747 1 0.0
K6 K+1 0 0 0.747 1 0.0
K2 K+1 0.3333 0.6667 0.08 1 0.0
F5 F-1 0.825 0.175 0.587 1 0.0
F3 F-1 0.175 0.825 0.253 1 0.0
Li1 Li+1 0 0 0.1667 1 0.0
K1 K+1 0.6667 0.3333 -0.08 1 0.0
F4 F-1 0.491 0.509 0.413 1 0.0
K4 K+1 0 0 0.413 1 0.0
Li3 Li+1 0.3333 0.6667 0.8333 1 0.0
K5 K+1 0.3333 0.6667 0.587 1 0.0
F2 F-1 -0.158 0.158 0.08 1 0.0
Al3 Al+3 0.6667 0.3333 0.6667 1 0.0
Al1 Al+3 0 0 0 1 0.0
K3 K+1 0.6667 0.3333 0.253 1 0.0
F1 F-1 0.158 -0.158 -0.08 1 0.0
Al2 Al+3 0.3333 0.6667 0.3333 1 0.0
