#------------------------------------------------------------------------------
#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9011291.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_9011291
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
 Locality: synthetic
 Sample: .7 angstroms
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              967
_journal_page_last               973
_journal_volume                  49
_journal_year                    1993
_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
_exptl_crystal_density_diffrn    2.711
_[local]_cod_chemical_formula_sum_orig 'K2 Si F6'
_cod_database_code               9011291
_amcsd_database_code             AMCSD#0009673
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
z,-x,y
z,1/2-x,1/2+y
1/2+z,-x,1/2+y
1/2+z,1/2-x,y
-y,z,-x
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1/2-y,z,1/2-x
1/2-y,1/2+z,-x
x,-y,z
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1/2+x,-y,1/2+z
1/2+x,1/2-y,z
-z,x,-y
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1/2-z,x,1/2-y
1/2-z,1/2+x,-y
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1/2+y,-z,1/2+x
1/2+y,1/2-z,x
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1/2-y,1/2-z,-x
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 0.02370 0.02370 0.02370 0.00000 0.00000 0.00000
Si 0.01770 0.01770 0.01770 0.00000 0.00000 0.00000
F 0.01650 0.03600 0.03600 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 0.20660 0.00000 0.00000