#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/20/9012074.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_9012074
loop_
_publ_author_name
'Ferrifayalite Research Group'
_publ_section_title
;
 Ferrifayalite and its crystal structure
 Note: Reported SiO bond lengths of 1.9 could not be reproduced
;
_journal_name_full               'Acta Geologica Sinica'
_journal_page_first              161
_journal_page_last               175
_journal_volume                  50
_journal_year                    1976
_chemical_compound_source        'Liaoning Province, China'
_chemical_formula_sum            'Fe5 O16 Si4'
_chemical_name_mineral           Laihunite
_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                90.0
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.808
_cell_length_b                   10.171
_cell_length_c                   5.824
_cell_formula_units_Z            2
_cell_volume                     284.806
_database_code_amcsd             0011976
_exptl_crystal_density_diffrn    7.551
_cod_original_formula_sum        'Fe5 Si4 O16'
_cod_database_code               9012074
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Fe1 0.00000 0.00000 0.00000
Fe2 0.50900 0.22700 0.27300
Fe3 0.00900 0.27300 0.72700
Si1 0.58400 0.09900 0.77800
Si2 0.08400 0.40100 0.22200
O1 0.25800 0.09600 0.78900
O2 0.72900 0.16600 0.50900
O3 0.74200 0.17500 0.03900
O4 0.83000 0.45300 0.76600
O5 0.24200 0.32500 0.96100
O6 0.22900 0.33400 0.49100
O7 0.33000 0.04700 0.23400
O8 0.75800 0.40400 0.21100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0011976
