#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/10/9011058.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_9011058
loop_
_publ_author_name
'Zalkin, A.'
'Forrester, J. D.'
'Templeton, D. H.'
_publ_section_title
;
 The crystal structure of sodium fluorosilicate
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1408
_journal_page_last               1412
_journal_paper_doi               10.1107/S0365110X64003516
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F6 Na2 Si'
_chemical_name_mineral           Malladrite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.859
_cell_length_b                   8.859
_cell_length_c                   5.038
_cell_formula_units_Z            3
_cell_volume                     342.419
_database_code_amcsd             0009291
_exptl_crystal_density_diffrn    2.736
_cod_original_formula_sum        'Na2 Si F6'
_cod_database_code               9011058
loop_
_space_group_symop_operation_xyz
x,y,z
y,x,-z
-y,x-y,z
-x,-x+y,-z
-x+y,-x,z
x-y,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.03040 0.03040 0.01647 0.01140 0.00127 -0.00127
Na2 0.02027 0.02027 0.03166 0.00887 -0.00127 0.00127
Si1 0.01646 0.01646 0.02406 0.00760 0.00000 0.00000
Si2 0.01393 0.01393 0.01647 0.00633 0.00000 0.00000
F1 0.00456 0.03420 0.03926 0.02660 0.01140 -0.00507
F2 0.02027 0.02406 0.02913 0.01520 0.00633 0.01646
F3 0.02406 0.03166 0.02913 0.01646 -0.00507 -0.00253
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Na1 0.37900 0.37900 0.00000
Na2 0.71430 0.71430 0.50000
Si1 0.00000 0.00000 0.00000
Si2 0.33333 0.66667 0.50620
F1 0.08700 -0.09200 0.80990
F2 0.44420 -0.40100 0.70070
F3 0.22990 -0.26000 0.30980
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009291
