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#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/15/9011592.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_9011592
loop_
_publ_author_name
'Kudoh, Y.'
'Takeda, H.'
_publ_section_title
;
 Single crystal X-ray diffraction study on the bond compressibility
 of fayalite, Fe₂SiO₄ and rutile, TiO₂ under high pressure
 Sample: P = 117 kbar
;
_journal_name_full               'Physica B+C'
_journal_page_first              333
_journal_page_last               336
_journal_paper_doi               10.1016/0378-4363(86)90591-7
_journal_volume                  140
_journal_year                    1986
_chemical_formula_sum            'Fe2 O4 Si'
_chemical_name_mineral           Fayalite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.756
_cell_length_b                   10.089
_cell_length_c                   5.976
_cell_formula_units_Z            4
_cell_volume                     286.748
_database_code_amcsd             0015003
_diffrn_ambient_pressure         1.17e+07
_exptl_crystal_density_diffrn    4.720
_cod_original_formula_sum        'Fe2 Si O4'
_cod_database_code               9011592
loop_
_space_group_symop_operation_xyz
x,y,z
x,y,1/2-z
-x,-y,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-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
_atom_site_U_iso_or_equiv
Fe1 0.00000 0.00000 0.00000 0.00114
Fe2 0.98260 0.27140 0.25000 0.01165
Si 0.42770 0.08920 0.25000 0.01406
O1 0.78320 0.10190 0.25000 0.04015
O2 0.20450 0.46420 0.25000 0.00747
O3 0.30690 0.19200 0.04620 0.00570
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015003
