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#$Date: 2022-09-15 12:05:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277869 $
#$URL: file:///home/coder/svn-repositories/cod/cif/6/00/04/6000428.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_6000428
loop_
_publ_author_name
'Graulich, J.'
'Drueke, S.'
'Babel, D.'
_publ_section_title
;
 X-ray structural studies of the polymorphic elpasolites K2LiAlF6 and
 Rb2LiGaF6
;
_journal_name_full
'Zeitschrift Fur Anorganische Und Allgemeine Chemie'
_journal_page_first              1460
_journal_page_last               1464
_journal_paper_doi
10.1002/(SICI)1521-3749(199809)624:9<1460::AID-ZAAC1460>3.0.CO;2-P
_journal_volume                  624
_journal_year                    1998
_chemical_formula_sum            'Al F6 K2 Li'
_chemical_formula_weight         226.11
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_formula_units_Z            6
_cell_length_a                   5.617(1)
_cell_length_b                   5.617(1)
_cell_length_c                   27.576(6)
_cell_volume                     753.5(7)
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_theta_max         2
_diffrn_reflns_theta_min         30
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_ls_matrix_type           full
_refine_ls_number_parameters     27
_refine_ls_R_factor_all          0.0045
_refine_ls_R_factor_gt           0.0021
_reflns_threshold_expression     Fo>4σ(Fo)
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               6000428
loop_
_space_group_symop_operation_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_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 6 c 0 0 0.12775(3)
K2 6 c 0 0 0.28057(4)
Li 6 c 0 0 0.4025(3)
Al1 3 a 0 0 0
Al2 3 b 0 0 0.5
F1 18 h 0.1481(2) -0.1481(2) 0.46102(5)
F2 18 h 0.1805(2) -0.1805(2) 0.62911(5)
