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#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000323.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_9000323
loop_
_publ_author_name
'Smyth, J. R.'
'Hazen, R. M.'
_publ_section_title
;
 The crystal structures of forsterite and hortonolite at several temperatures
 up to 900 C
 Note: variety hortonolite
 T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              588
_journal_page_last               593
_journal_volume                  58
_journal_year                    1973
_chemical_compound_source        'Franklin, New Jersey, USA'
_chemical_formula_sum            'Fe1.1 Mg0.75 Mn0.15 O4 Si'
_chemical_name_mineral           Forsterite
_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                   4.798
_cell_length_b                   10.387
_cell_length_c                   6.055
_cell_formula_units_Z            4
_cell_volume                     301.762
_database_code_amcsd             0000332
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.962
_cod_original_formula_sum        '(Fe1.1 Mg.75 Mn.15) Si O4'
_cod_database_code               9000323
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_occupancy
_atom_site_U_iso_or_equiv
Fe1 0.00000 0.00000 0.00000 0.56200 0.00557
Mg1 0.00000 0.00000 0.00000 0.36100 0.00557
Mn1 0.00000 0.00000 0.00000 0.07700 0.00557
Fe2 0.98670 0.27920 0.25000 0.53800 0.00418
Mg2 0.98670 0.27920 0.25000 0.38900 0.00418
Mn2 0.98670 0.27920 0.25000 0.07300 0.00418
Si 0.42870 0.09570 0.25000 1.00000 0.00418
O1 0.76610 0.09180 0.25000 1.00000 0.00621
O2 0.21270 0.45140 0.25000 1.00000 0.00633
O3 0.28440 0.16330 0.03570 1.00000 0.00697
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000332
