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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/05/9000541.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_9000541
loop_
_publ_author_name
'Hazen, R. M.'
_publ_section_title
;
 Effects of temperature and pressure on the crystal structure of forsterite
 T = 23 C P = 50 kb
 olivine
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1280
_journal_page_last               1293
_journal_volume                  61
_journal_year                    1976
_chemical_formula_sum            'Mg2 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                   4.712
_cell_length_b                   9.97
_cell_length_c                   5.955
_cell_volume                     279.758
_diffrn_ambient_pressure         5e+06
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    3.340
_[local]_cod_chemical_formula_sum_orig 'Si Mg2 O4'
_cod_database_code               9000541
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_U_iso_or_equiv
Si 0.42800 0.10100 0.25000 0.00887
Mg1 0.00000 0.00000 0.00000 0.00253
Mg2 0.99300 0.28300 0.25000 0.00760
O1 0.77600 0.10300 0.25000 0.00127
O2 0.22800 0.44000 0.25000 0.00507
O3 0.28100 0.15300 0.03200 0.00760