#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/02/9000296.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_9000296
loop_
_publ_author_name
'Pabst, A.'
'Sharp, W. N.'
_publ_section_title
;
 Kogarkoite, a new natural phase in the system Na2SO4 - NaF - NaCl
;
_journal_name_full               'American Mineralogist'
_journal_page_first              116
_journal_page_last               127
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'F Na3 O4 S'
_chemical_name_mineral           Kogarkoite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                91.80
_cell_angle_beta                 91.80
_cell_angle_gamma                91.80
_cell_length_a                   4.846
_cell_length_b                   4.846
_cell_length_c                   4.846
_cell_formula_units_Z            1
_cell_volume                     113.630
_database_code_amcsd             0000305
_exptl_crystal_density_diffrn    2.689
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na3 S O4 F'
_cod_database_code               9000296
loop_
_space_group_symop_operation_xyz
x,y,z
x,z,y
z,x,y
y,x,z
y,z,x
z,y,x
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na 0.50000 0.50000 0.00000
S 0.49600 0.49600 0.49600
O1 0.31500 0.31500 0.31500
O2 0.67100 0.67100 0.32500
F 0.00000 0.00000 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000305
