#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/19/9001919.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_9001919
loop_
_publ_author_name
'Woodland, A. B.'
'Angel, R. J.'
_publ_section_title
;
 Crystal structure of a new spinelloid with the wadsleyite structure in the
 system Fe2SiO4-Fe3O4 and implications for the Earth's mantle
 Fe2.45Si.55O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              404
_journal_page_last               408
_journal_volume                  83
_journal_year                    1998
_chemical_formula_sum            'Fe2.45 O4 Si0.55'
_chemical_name_mineral           Wadsleyite
_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                   5.8559
_cell_length_b                   11.8936
_cell_length_c                   8.3684
_cell_formula_units_Z            8
_cell_volume                     582.840
_database_code_amcsd             0001980
_exptl_crystal_density_diffrn    4.929
_cod_original_formula_sum        'Fe2.45 Si.55 O4'
_cod_database_code               9001919
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
Fe1 0.00000 0.00000 0.00000 1.00000
Fe2 0.00000 0.25000 0.96966 1.00000
Fe3 0.25000 0.12496 0.25000 1.00000
Si 0.00000 0.11991 0.61800 0.55000
Fe 0.00000 0.11991 0.61800 0.45000
O1 0.00000 0.25000 0.22550 1.00000
O2 0.00000 0.25000 0.72340 1.00000
O3 0.00000 -0.00410 0.25440 1.00000
O4 0.25560 0.12220 0.00140 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0001980
