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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000325.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_9000325
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 = 600 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              588
_journal_page_last               593
_journal_volume                  58
_journal_year                    1973
_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                   4.838
_cell_length_b                   10.492
_cell_length_c                   6.136
_cell_volume                     311.465
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.838
_[local]_cod_chemical_formula_sum_orig '(Fe1.1 Mg.75 Mn.15) Si O4'
_cod_database_code               9000325
_amcsd_database_code             AMCSD#0000333
loop_
_symmetry_equiv_pos_as_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 0.58300 0.03002
Mg1 0.00000 0.00000 0.00000 0.33800 0.03002
Mn1 0.00000 0.00000 0.00000 0.07900 0.03002
Fe2 0.99400 0.27990 0.25000 0.51700 0.02140
Mg2 0.99400 0.27990 0.25000 0.41200 0.02140
Mn2 0.99400 0.27990 0.25000 0.07100 0.02140
Si 0.44500 0.09590 0.25000 1.00000 0.01343
O1 0.81400 0.08820 0.25000 1.00000 0.03344
O2 0.21000 0.45030 0.25000 1.00000 0.01127
O3 0.28000 0.16150 0.04470 1.00000 0.02330