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#$Date: 2024-05-09 11:47:05 +0300 (Thu, 09 May 2024) $
#$Revision: 291792 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/13/9011397.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_9011397
loop_
_publ_author_name
'Burt, J. B.'
'Downs, R. T.'
'Costin, G.'
_publ_section_title
;
 Single-crystal X-ray refinement of wilkinsonite, Na2Fe2+4Fe3+2Si6O20.
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i122
_journal_page_last               i124
_journal_paper_doi               10.1107/S1600536807015048
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source
'Warrumbungle Volcano, central New South Wales, Australia'
_chemical_formula_sum            'Fe2.75 Na O10 Si3'
_chemical_name_mineral           Wilkinsonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.048
_cell_angle_beta                 96.461
_cell_angle_gamma                125.302
_cell_length_a                   10.3355
_cell_length_b                   10.7847
_cell_length_c                   8.9142
_cell_formula_units_Z            4
_cell_volume                     738.372
_database_code_amcsd             0010476
_exptl_crystal_density_diffrn    3.786
_cod_original_formula_sum        'Na Fe2.75 Si3 O10'
_cod_database_code               9011397
loop_
_space_group_symop_operation_xyz
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
Na1 0.21036 0.63125 0.38834 1.00000 0.01308
Na2 0.66109 0.61279 0.37244 1.00000 0.01558
Fe1 0.00000 0.00000 0.50000 0.50000 0.00893
Fe2 0.00000 0.50000 0.00000 0.50000 0.00792
Fe3 0.31905 0.85202 0.17897 1.00000 0.00742
Fe4 0.76728 0.82004 0.15109 1.00000 0.00742
Fe5 0.09363 0.93553 0.05864 1.00000 0.01104
Fe6 0.59487 0.94132 0.06557 1.00000 0.00708
Fe7 0.99381 0.73633 0.26446 1.00000 0.00706
Si1 0.47856 0.23504 0.33068 1.00000 0.00584
Si2 0.98595 0.23337 0.34225 1.00000 0.00495
Si3 0.79150 0.33856 0.24104 1.00000 0.00509
Si4 0.72159 0.66157 0.77590 1.00000 0.00559
Si5 0.64857 0.94629 0.44736 1.00000 0.00608
Si6 0.35235 0.55640 0.04592 1.00000 0.00539
O1 0.35818 0.06889 0.16487 1.00000 0.00790
O2 0.86095 0.06772 0.17513 1.00000 0.00799
O3 0.55580 0.95318 0.29564 1.00000 0.00787
O4 0.01485 0.93349 0.27479 1.00000 0.00762
O5 0.24029 0.87626 0.39573 1.00000 0.00945
O6 0.75486 0.88351 0.39477 1.00000 0.00751
O7 0.50726 0.80265 0.50559 1.00000 0.00809
O8 0.95777 0.78451 0.49264 1.00000 0.00658
O9 0.89916 0.32134 0.37379 1.00000 0.00739
O10 0.59320 0.66083 0.64779 1.00000 0.00691
O11 0.33560 0.82749 0.92558 1.00000 0.00777
O12 0.84312 0.83177 0.93604 1.00000 0.00788
O13 0.52551 0.71191 0.03936 1.00000 0.00860
O14 0.06659 0.72728 0.06868 1.00000 0.00815
O15 0.24054 0.60582 0.11124 1.00000 0.00724
O16 0.74816 0.60204 0.12861 1.00000 0.00747
O17 0.59950 0.50029 0.81427 1.00000 0.00792
O18 0.93448 0.50527 0.21937 1.00000 0.00944
O19 0.83356 0.63351 0.68068 1.00000 0.00757
O20 0.67365 0.36341 0.33607 1.00000 0.00814
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010476
