#------------------------------------------------------------------------------
#$Date: 2024-04-25 17:59:02 +0300 (Thu, 25 Apr 2024) $
#$Revision: 291351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/53/9005367.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_9005367
loop_
_publ_author_name
'Angel, R. J.'
'Woodland, A. B.'
_publ_section_title
;
 Crystal structure of spinelloid II in the system Fe3O4-Fe2SiO4
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              607
_journal_page_last               611
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'Fe2.57 O4 Si0.43'
_chemical_name_mineral           Spinelloid
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.85928
_cell_length_b                   17.9801
_cell_length_c                   8.38395
_cell_formula_units_Z            12
_cell_volume                     883.253
_database_code_amcsd             0006752
_exptl_crystal_density_diffrn    4.954
_cod_original_formula_sum        'Fe2.57 Si.43 O4'
_cod_database_code               9005367
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,-y,1/2+z
-x,1/2+y,-z
1/2-x,+y,1/2-z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
x,1/2+y,-z
1/2+x,+y,1/2-z
-x,1/2-y,z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,1/2-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
FeM1 0.25000 0.25000 0.75000 1.00000 0.01229
FeM2 0.25000 0.08428 0.75000 1.00000 0.01292
FeM3 0.00000 0.16675 0.02950 1.00000 0.01127
FeM4 0.00000 0.00000 0.00000 1.00000 0.01191
SiT1 0.00000 0.42088 0.38048 0.43000 0.01039
FeT1 0.00000 0.42088 0.38048 0.57000 0.01039
SiT2 0.00000 0.25000 0.38763 0.43000 0.00937
FeT2 0.00000 0.25000 0.38763 0.57000 0.00937
O1 0.00000 0.83210 0.22750 1.00000 0.01279
O2 0.00000 -0.00035 0.24943 1.00000 0.01710
O3 0.00000 0.17090 0.27754 1.00000 0.01900
O4 0.26020 0.25000 -0.00132 1.00000 0.01368
O5 0.24800 0.08100 -0.00328 1.00000 0.01456
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0006752
