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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007880.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_9007880
loop_
_publ_author_name
'Benghalem, A.'
'Leblanc, M.'
'Calage, Y.'
_publ_section_title
;
 Room-temperature structure of iron(II)
 hexafluorostannate(IV)hexahydrate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2453
_journal_page_last               2454
_journal_paper_doi               10.1107/S010827019000378X
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     FeSnF6.6H2O
_chemical_formula_sum            'F6 Fe H12 O6 Sn'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.826
_cell_length_b                   9.826
_cell_length_c                   10.106
_cell_formula_units_Z            3
_cell_volume                     845.013
_exptl_crystal_density_diffrn    2.338
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe Sn F6 O6 H12'
_cod_database_code               9007880
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe 0.00000 0.00000 0.50000 0.02520
Sn 0.00000 0.00000 0.00000 0.02115
F 0.14600 0.17180 0.11260 0.05319
O 0.18400 0.17010 0.38130 0.06079
H1 0.31000 0.22300 0.41100 0.07599
H2 0.16100 0.15100 0.27100 0.07599
_cod_duplicate_entry 1000466
