#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/28/9012832.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_9012832
loop_
_publ_author_name
'Morgenstern-Badarau I'
'Michel, A.'
_publ_section_title
;
 Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV)
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1400
_journal_page_last               1402
_journal_paper_doi               10.1016/0022-1902(76)80168-6
_journal_volume                  38
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe O6 Sn'
_chemical_name_mineral           Jeanbandyite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.757
_cell_length_b                   7.757
_cell_length_c                   7.757
_cell_formula_units_Z            4
_cell_volume                     466.747
_database_code_amcsd             0013052
_exptl_crystal_density_diffrn    3.850
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'Sn Fe O6'
_cod_database_code               9012832
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,1/2+x,-y
1/2+z,-x,1/2+y
-z,1/2+x,1/2+y
-z,-x,-y
y,1/2-z,1/2-x
1/2-y,1/2-z,x
1/2-y,z,1/2-x
y,z,x
1/2+x,-y,1/2+z
-x,1/2+y,1/2+z
1/2+x,1/2+y,-z
-x,-y,-z
1/2-z,1/2-x,y
1/2-z,x,1/2-y
z,1/2-x,1/2-y
z,x,y
-y,1/2+z,1/2+x
1/2+y,1/2+z,-x
1/2+y,-z,1/2+x
-y,-z,-x
1/2-x,y,1/2-z
x,1/2-y,1/2-z
1/2-x,1/2-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Sn 0.50000 0.50000 0.50000 0.01203
Fe 0.00000 0.00000 0.00000 0.01393
O -0.06800 0.06800 0.25100 0.01064
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013052
