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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/95/9009583.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_9009583
loop_
_publ_author_name
'Fischer, R.'
'Pertlik, F.'
_publ_section_title
;
 Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              236
_journal_page_last               241
_journal_volume                  22
_journal_year                    1975
_chemical_compound_source        'Pernek, Slowakei, CSSR'
_chemical_formula_sum            'Fe O4 Sb2'
_chemical_name_mineral           Schafarzikite
_space_group_IT_number           135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.590
_cell_length_b                   8.590
_cell_length_c                   5.913
_cell_volume                     436.309
_database_code_amcsd             0015656
_exptl_crystal_density_diffrn    5.531
_cod_original_formula_sum        'Fe Sb2 O4'
_cod_database_code               9009583
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-y,1/2-x,1/2+z
1/2+y,1/2+x,1/2-z
y,-x,1/2-z
-y,x,1/2+z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
x,y,-z
-x,-y,z
1/2+y,1/2+x,1/2+z
1/2-y,1/2-x,1/2-z
-y,x,1/2-z
y,-x,1/2+z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-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
Fe 0.00822 0.00822 0.00496 -0.00075 0.00000 0.00000
Sb 0.01215 0.00994 0.00779 -0.00022 0.00000 0.00000
O1 0.02243 0.02243 0.03011 -0.00897 -0.00283 0.00283
O2 0.00822 0.00822 0.01417 -0.00224 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.00000 0.50000 0.25000
Sb 0.17636 0.16587 0.00000
O1 0.67940 0.17940 0.25000
O2 0.10180 0.64120 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015656