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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/9/00/08/9000898.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_9000898
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
 K fluor-richterite  24C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              924
_journal_page_last               943
_journal_volume                  68
_journal_year                    1983
_chemical_formula_sum            'Ca2 F2 K2 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                 105.80
_cell_angle_gamma                90
_cell_length_a                   9.992
_cell_length_b                   17.972
_cell_length_c                   5.260
_cell_formula_units_Z            2
_cell_volume                     908.883
_database_code_amcsd             0000917
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.437
_cod_original_formula_sum        'Si8 Mg5 (Na2 Ca2) K2 O22 F2'
_cod_database_code               9000898
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 0.27718 0.91516 0.97689
Si2 0.28578 0.82849 0.48046
Mg1 0.00000 0.91066 0.50000
Mg2 0.00000 0.82096 0.00000
Mg3 0.00000 0.00000 0.00000
Na 0.00000 0.72275 0.50000
Ca 0.00000 0.72275 0.50000
K 0.48506 0.00000 0.50833
O1 0.11123 0.91497 0.89186
O2 0.11799 0.83136 0.39182
F3 0.10146 0.00000 0.38746
O4 0.36099 0.75146 0.56411
O5 0.34538 0.86971 0.24961
O6 0.34176 0.88259 0.74865
O7 0.33586 0.00000 0.03284
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000917
