#------------------------------------------------------------------------------
#$Date$
#$Revision$
#$URL$
#------------------------------------------------------------------------------
#
# 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_9011820
loop_
_publ_author_name
'Berlepsch, P.'
'Armbruster, T.'
'Brugger, J.'
'Criddle, A. J.'
'Graeser, S.'
_publ_section_title
;
 Tripuhyte, FeSbO4, revisited
 Locality: Tripuhy, Minas Gerais, Brazil
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              31
_journal_page_last               46
_journal_volume                  67
_journal_year                    2003
_chemical_formula_sum            'Fe0.47 O2 Sb0.53'
_chemical_name_mineral           Tripuhyite
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.625
_cell_length_b                   4.625
_cell_length_c                   3.059
_cell_volume                     65.434
_[local]_cod_data_source_file    11436.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig '(Fe.47 Sb.53) O2'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe 0.00000 0.00000 0.00000 0.47000 0.01360
Sb 0.00000 0.00000 0.00000 0.53000 0.01360
O -0.30400 0.30400 0.00000 1.00000 0.00800
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 0.01640 0.01640 0.08000 -0.01000 0.00000 0.00000
Sb 0.01640 0.01640 0.08000 -0.01000 0.00000 0.00000