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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/93/1539365.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1539365
loop_
_publ_author_name
'Shen, B.'
'Tamada, O.'
'Kitamura, M.'
'Morimoto, N.'
_publ_section_title
;
 Superstructure of laihunite-3M (Fe0.8 Fe0.8 Si O4)
;
_journal_name_full               'Mineralogical Journal (Japan)'
_journal_page_first              382
_journal_page_last               391
_journal_volume                  11
_journal_year                    1983
_chemical_formula_sum            'Fe1.568 Mg0.027 O4 Si'
_chemical_name_systematic        '(Fe1.568 Mg.027) (Si O4)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                91
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   4.805
_cell_length_b                   10.189
_cell_length_c                   17.403
_cell_volume                     851.889
_citation_journal_id_ASTM        MJTOAS
_cod_data_source_file            Shen_MJTOAS_1983_1268.cif
_cod_data_source_block           Fe1.568Mg0.027O4Si1
_cod_original_cell_volume        851.8888
_cod_original_sg_symbol_Hall     '-P 2ybc (y,z,x)'
_cod_original_formula_sum        'Fe1.568 Mg0.027 O4 Si1'
_cod_database_code               1539365
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x,-y,-z
-x-1/2,y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O5 O-2 0.223 0.1065 0.5857 1 0.0
O11 O-2 0.22 0.3236 0.3429 1 0.0
Fe4 Fe+2 0.0088 0.266 0.2488 1 0.0
Mg1 Mg+2 0.0008 0.0089 0.3278 0.08 0.0
O7 O-2 0.699 0.1738 0.1815 1 0.0
Fe2 Fe+2 0.5 0.5 0.5 0.666 0.0
Fe6 Fe+2 0.0102 0.277 0.9109 1 0.0
O4 O-2 0.227 0.0993 0.2545 1 0.0
O1 O-2 0.323 0.0501 0.0851 1 0.0
O8 O-2 0.701 0.1752 0.5116 1 0.0
Fe5 Fe+2 0.0045 0.2788 0.5823 1 0.0
Si2 Si+4 0.0594 0.4 0.4174 1 0.0
Fe3 Fe+2 0.0008 0.0089 0.3278 0.87 0.0
O10 O-2 0.225 0.3313 0.0094 1 0.0
O12 O-2 0.222 0.3329 0.6785 1 0.0
O6 O-2 0.227 0.1079 0.9193 1 0.0
Fe1 Fe+2 0 0 0 1 0.0
Si3 Si+4 0.0593 0.4118 0.7483 1 0.0
O3 O-2 0.328 0.0603 0.7506 1 0.0
Si1 Si+4 0.0597 0.4008 0.0837 1 0.0
O9 O-2 0.699 0.182 0.8448 1 0.0
O2 O-2 0.326 0.0508 0.4181 1 0.0
