#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/93/9009341.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9009341
loop_
_publ_author_name
'Sabelli, C.'
_publ_section_title
;
 Structure refinement of elpasolite from Cetine mine, Tuscany, Italy
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              481
_journal_page_last               487
_journal_volume                  1987
_journal_year                    1987
_chemical_compound_source        'Cetine mine, Tuscany, Italy'
_chemical_formula_sum            'Al F6 K2 Na'
_chemical_name_mineral           Elpasolite
_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_length_a                   8.116
_cell_length_b                   8.116
_cell_length_c                   8.116
_cell_formula_units_Z            4
_cell_volume                     534.597
_database_code_amcsd             0014819
_exptl_crystal_density_diffrn    3.009
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'K2 Na Al F6'
_cod_database_code               9009341
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
z,-x,y
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
-y,z,-x
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
x,-y,z
x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2+x,1/2-y,z
-z,x,-y
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
y,-z,x
y,1/2-z,1/2+x
1/2+y,-z,1/2+x
1/2+y,1/2-z,x
-x,y,-z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
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x,1/2-z,1/2-y
1/2+x,-z,1/2-y
1/2+x,1/2-z,-y
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1/2-z,y,1/2+x
1/2-z,1/2+y,x
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y,1/2-x,1/2-z
1/2+y,-x,1/2-z
1/2+y,1/2-x,-z
-x,z,y
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1/2-x,z,1/2+y
1/2-x,1/2+z,y
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1/2+z,-y,1/2-x
1/2+z,1/2-y,-x
-y,x,z
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1/2-y,x,1/2+z
1/2-y,1/2+x,z
x,z,y
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1/2+x,1/2+z,y
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1/2+y,1/2+x,z
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1/2+z,y,1/2+x
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1/2+x,1/2+y,-z
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-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
y,z,-x
y,1/2+z,1/2-x
1/2+y,z,1/2-x
1/2+y,1/2+z,-x
-x,-y,z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-z,x,y
-z,1/2+x,1/2+y
1/2-z,x,1/2+y
1/2-z,1/2+x,y
y,-z,-x
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
-x,y,z
-x,1/2+y,1/2+z
1/2-x,y,1/2+z
1/2-x,1/2+y,z
z,-x,-y
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
-y,z,x
-y,1/2+z,1/2+x
1/2-y,z,1/2+x
1/2-y,1/2+z,x
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1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
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1/2-x,z,1/2-y
1/2-x,1/2+z,-y
z,-y,x
z,1/2-y,1/2+x
1/2+z,-y,1/2+x
1/2+z,1/2-y,x
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1/2-y,x,1/2-z
1/2-y,1/2+x,-z
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1/2-z,y,1/2-x
1/2-z,1/2+y,-x
y,-x,z
y,1/2-x,1/2+z
1/2+y,-x,1/2+z
1/2+y,1/2-x,z
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1/2-x,-z,1/2+y
1/2-x,1/2-z,y
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z,1/2+y,1/2-x
1/2+z,y,1/2-x
1/2+z,1/2+y,-x
-y,-x,z
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1/2-y,-x,1/2+z
1/2-y,1/2-x,z
x,z,-y
x,1/2+z,1/2-y
1/2+x,z,1/2-y
1/2+x,1/2+z,-y
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1/2-z,1/2-y,x
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1/2-z,-x,1/2-y
1/2-z,1/2-x,-y
y,z,x
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1/2+y,z,1/2+x
1/2+y,1/2+z,x
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1/2-x,-y,1/2-z
1/2-x,1/2-y,-z
z,x,y
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
-y,-z,-x
-y,1/2-z,1/2-x
1/2-y,-z,1/2-x
1/2-y,1/2-z,-x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
K 0.25000 0.25000 0.25000 0.01550
Na 0.50000 0.50000 0.50000 0.01070
Al 0.00000 0.00000 0.00000 0.00740
F 0.22250 0.00000 0.00000 0.01620
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014819
