#------------------------------------------------------------------------------
#$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009583.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009583
loop_
_publ_author_name
'Fischer R'
'Pertlik F'
_publ_section_title
;
 Verfeinerung der kristallstruktur des schafarzikites, FeSb2O4
 Locality: Pernek, Slowakei, CSSR
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              236
_journal_page_last               241
_journal_volume                  22
_journal_year                    1975
_chemical_formula_sum            'Fe O4 Sb2'
_[local]_cod_chemical_formula_sum_orig 'Fe Sb2 O4'
_chemical_name_mineral           Schafarzikite
_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
loop_
_symmetry_equiv_pos_as_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_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_
_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