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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/91/1539145.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_1539145
loop_
_publ_author_name
'Tamada, O.'
'Shen, B.'
'Morimoto, N.'
_publ_section_title
;
 The crystal structure of laihunite (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            'Fe1.58 O4 Si'
_chemical_name_systematic        'Fe1.58 (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            4
_cell_length_a                   4.805
_cell_length_b                   10.189
_cell_length_c                   5.801
_cell_volume                     283.963
_citation_journal_id_ASTM        MJTOAS
_cod_data_source_file            Tamada_MJTOAS_1983_1267.cif
_cod_data_source_block           Fe1.58O4Si1
_cod_original_sg_symbol_Hall     '-P 2ybc (y,z,x)'
_cod_original_formula_sum        'Fe1.58 O4 Si1'
_cod_database_code               1539145
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
Fe3 Fe+2 0.0048 0.2737 0.7421 1 0.0
O2 O-2 0.2239 0.1047 0.7544 1 0.0
Fe2 Fe+2 0.5 0.5 0.5 0.222 0.0
O1 O-2 0.3266 0.0543 0.2566 1 0.0
Si1 Si+4 0.0595 0.4041 0.2491 1 0.0
O3 O-2 0.6964 0.1771 0.5339 1 0.0
O4 O-2 0.2167 0.3272 0.0327 1 0.0
Fe1 Fe+2 0 0 0 0.938 0.0
