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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/6/00/04/6000427.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_6000427
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           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   7.842(1)
_cell_length_b                   7.842(1)
_cell_length_c                   7.842(1)
_cell_volume                     482.3(2)
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_theta_max         3.4
_diffrn_reflns_theta_min         26.3
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.3
_exptl_crystal_size_min          0.3
_refine_ls_matrix_type           full
_refine_ls_number_parameters     8
_refine_ls_R_factor_all          0.0087
_refine_ls_R_factor_gt           0.0086
_reflns_threshold_expression     Fo>4σ(Fo)
_cod_database_code               6000427
loop_
_space_group_symop_operation_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
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y,x,z
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z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
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z+1/2,-x+1/2,y
x+1/2,z+1/2,y
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-z+1/2,-y+1/2,x
y+1/2,-z+1/2,x
z+1/2,y+1/2,x
y+1/2,z+1/2,-x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
K 8 c 0.25 0.25 0.25
Li 4 b 0.5 0.5 0.5
Al 4 a 0 0 0
F 24 e 0.2311(1) 0 0
