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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000896.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_9000896
loop_
_publ_author_name
'Cameron, M.'
'Sueno, S.'
'Papike, J. J.'
'Prewitt, C. T.'
_publ_section_title
;
 High temperature crystal chemistry of K and Na fluor-richterites
 Na fluor-richterite  800C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              924
_journal_page_last               943
_journal_volume                  68
_journal_year                    1983
_chemical_formula_sum            'Ca2 F2 K4 Mg5 Na2 O22 Si8'
_chemical_name_mineral           Fluororichterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.7
_cell_angle_gamma                90
_cell_length_a                   10.032
_cell_length_b                   18.131
_cell_length_c                   5.284
_cell_formula_units_Z            2
_cell_volume                     920.571
_database_code_amcsd             0000915
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    3.675
_cod_original_formula_sum        'Si8 Mg5 (Na2 Ca2) K4 O22 F2'
_cod_database_code               9000896
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 0.27935 0.91609 0.98563
Si2 0.28689 0.82982 0.48665
Mg1 0.00000 0.91049 0.50000
Mg2 0.00000 0.81963 0.00000
Mg3 0.00000 0.00000 0.00000
Na 0.00000 0.72345 0.50000
Ca 0.00000 0.72345 0.50000
K 0.46923 0.99133 0.54810
O1 0.11313 0.91525 0.89518
O2 0.11961 0.83220 0.39185
F3 0.10310 0.00000 0.39152
O4 0.36182 0.75341 0.56295
O5 0.34602 0.87226 0.26035
O6 0.34265 0.88191 0.76065
O7 0.34017 0.00000 0.04408
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000915
