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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/94/9009426.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_9009426
loop_
_publ_author_name
'Basso, R.'
'Cabella, R.'
'Lucchetti, G.'
'Marescotti, P.'
'Martinelli, A.'
_publ_section_title
;
 Structural studies on synthetic and natural Fe-Sb-oxides of MO2 type
 Sample: case 1 refinement in the rutile structure
 This is the preferred structural model
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              407
_journal_page_last               420
_journal_volume                  2003
_journal_year                    2003
_chemical_compound_source        'Djebel Nador, Algeria'
_chemical_formula_sum            'Fe0.5 O2 Sb0.5'
_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                   4.6353
_cell_length_b                   4.6353
_cell_length_c                   3.0694
_cell_formula_units_Z            2
_cell_volume                     65.949
_database_code_amcsd             0014926
_exptl_crystal_density_diffrn    6.083
_cod_original_formula_sum        '(Fe.5 Sb.5) O2'
_cod_database_code               9009426
loop_
_space_group_symop_operation_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
Fe 0.00000 0.00000 0.00000 0.50000
Sb 0.00000 0.00000 0.00000 0.50000
O 0.30200 0.30200 0.00000 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014926
