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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000326.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_9000326
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 = 900 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                   4.899
_cell_length_b                   10.419
_cell_length_c                   6.080
_cell_volume                     310.340
_diffrn_ambient_temperature      1173.15
_exptl_crystal_density_diffrn    3.852
_[local]_cod_chemical_formula_sum_orig '(Fe1.1 Mg.75 Mn.15) Si O4'
_cod_database_code               9000326
_amcsd_database_code             AMCSD#0000334
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 0.56400 0.01292
Mg1 0.00000 0.00000 0.00000 0.35900 0.01292
Mn1 0.00000 0.00000 0.00000 0.07700 0.01292
Fe2 0.98760 0.27970 0.25000 0.53600 0.01026
Mg2 0.98760 0.27970 0.25000 0.39100 0.01026
Mn2 0.98760 0.27970 0.25000 0.07300 0.01026
Si 0.42840 0.09570 0.25000 1.00000 0.00874
O1 0.76490 0.09210 0.25000 1.00000 0.01241
O2 0.21350 0.45240 0.25000 1.00000 0.01153
O3 0.28470 0.16310 0.03750 1.00000 0.01317