#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/95/9009564.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_9009564
loop_
_publ_author_name
'Zemann, J.'
_publ_section_title
;
 Formel und kristallstruktur des schafarzikits
;
_journal_name_full
'Tschermaks Mineralogische und Petrographische Mitteilungen'
_journal_page_first              166
_journal_page_last               175
_journal_volume                  2
_journal_year                    1951
_chemical_compound_source
'Pernek, Slovakia - 30 km north of Bratislava'
_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                   8.59
_cell_length_b                   8.59
_cell_length_c                   5.92
_cell_formula_units_Z            4
_cell_volume                     436.826
_database_code_amcsd             0015631
_exptl_crystal_density_diffrn    5.525
_cod_original_formula_sum        'Fe Sb2 O4'
_cod_database_code               9009564
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe 0.00000 0.50000 0.25000
Sb 0.17500 0.16700 0.00000
O1 0.66900 0.16900 0.25000
O2 0.11400 0.61400 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015631
