#------------------------------------------------------------------------------
#$Date: 2024-04-18 17:56:43 +0200 (jue 18 de abr de 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/14/9001421.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_9001421
loop_
_publ_author_name
'Ross, C. R.'
'Armbruster, T.'
'Canil, D.'
_publ_section_title
;
 Crystal structure refinement of a spinelloid in the system Fe3O4-Fe2SiO4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              507
_journal_page_last               511
_journal_volume                  77
_journal_year                    1992
_chemical_formula_sum            'Fe2.68 O4 Si0.32'
_chemical_name_mineral           Spinelloid
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.867
_cell_length_b                   8.917
_cell_length_c                   8.362
_cell_formula_units_Z            6
_cell_volume                     437.467
_database_code_amcsd             0001459
_exptl_crystal_density_diffrn    5.071
_cod_original_formula_sum        'Fe2.68 Si.32 O4'
_cod_database_code               9001421
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,z
-x,y,-z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,y,-z
1/2-x,-y,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
Fe1 0.75000 0.16590 0.24950 1.00000 0.00470
Fe2 0.50000 0.00000 0.00000 1.00000 0.00620
Fe3 0.50000 0.33330 0.50000 1.00000 0.00520
Fe4 0.75000 0.50000 0.21850 1.00000 0.00380
Fe1 0.25000 0.00000 0.37640 0.84000 0.00500
Si1 0.25000 0.00000 0.37640 0.16000 0.00500
Fe2 0.25000 0.32550 0.13210 0.60000 0.00500
Si2 0.25000 0.32550 0.13210 0.40000 0.00500
O1 0.50460 0.00000 0.24770 1.00000 0.01130
O2 0.25000 0.17150 0.00310 1.00000 0.01100
O3 0.25000 0.16940 0.50100 1.00000 0.00920
O4 0.49510 0.32870 0.25130 1.00000 0.01090
O5 0.25000 0.50000 0.02800 1.00000 0.01340
O6 0.25000 0.50000 0.52500 1.00000 0.00710
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001459
