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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/1/53/84/1538464.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_1538464
loop_
_publ_author_name
'Pausewang, G.'
'Ruedorff, W.'
_publ_section_title
;
 A(I)3 Me Ox F6-x-Verbindungen mit x 1,2,3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              69
_journal_page_last               87
_journal_volume                  364
_journal_year                    1969
_chemical_formula_sum            'F3 K2 Mo Na O3'
_chemical_name_systematic        'K2 Na (Mo O3 F3)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.393
_cell_length_b                   8.393
_cell_length_c                   8.393
_cell_volume                     591.223
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Pausewang_ZAACAB_1969_948.cif
_cod_data_source_block           F3K2Mo1Na1O3
_cod_original_cell_volume        591.2234
_cod_original_formula_sum        'F3 K2 Mo1 Na1 O3'
_cod_database_code               1538464
loop_
_symmetry_equiv_pos_as_xyz
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-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
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-z,-y,-x
-y,-z,x
z,-y,x
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x,y,-z
-y,x,-z
-x,y,z
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x,-y,z
y,x,z
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z,x,-y
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-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
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z,y,x
y,z,-x
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z,x+1/2,y+1/2
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y+1/2,x,-z+1/2
-x+1/2,y,-z+1/2
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z+1/2,x,y+1/2
-x+1/2,z,y+1/2
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z+1/2,y,-x+1/2
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z+1/2,-x+1/2,y
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-y+1/2,-z+1/2,-x
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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_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mo1 Mo+6 0 0 0 1 0.0
Na1 Na+1 0.5 0.5 0.5 1 0.0
F1 F-1 0.23 0 0 0.5 0.0
K1 K+1 0.25 0.25 0.25 1 0.0
O1 O-2 0.23 0 0 0.5 0.0
