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#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/12/9011290.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_9011290
loop_
_publ_author_name
'Hester, J. R.'
'Maslen, E. N.'
'Spadaccini, N.'
'Ishizawa, N.'
'Satow, Y.'
_publ_section_title
;
 Accurate synchrotron radiation delta rho maps for K2SiF6 and K2PdCl6
 Sample: .9 angstroms
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              967
_journal_page_last               973
_journal_paper_doi               10.1107/S0108768193005725
_journal_volume                  49
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F6 K2 Si'
_chemical_name_mineral           Hieratite
_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                   8.1419
_cell_length_b                   8.1419
_cell_length_c                   8.1419
_cell_volume                     539.731
_database_code_amcsd             0009878
_exptl_crystal_density_diffrn    2.711
_cod_original_formula_sum        'K2 Si F6'
_cod_database_code               9011290
loop_
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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
K 0.02490 0.02490 0.02490 0.00000 0.00000 0.00000
Si 0.01750 0.01750 0.01750 0.00000 0.00000 0.00000
F 0.01730 0.03660 0.03660 0.00000 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K 0.25000 0.25000 0.25000
Si 0.00000 0.00000 0.00000
F 0.20670 0.00000 0.00000