#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/9/9000272.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000272
loop_
_publ_author_name
'Baur W H'
_publ_section_title
;
 Computer-simulated crystal structures of observed and hypothetical Mg2SiO4
 polymorphs of low and high density
 Model II
;
_journal_name_full               'American Mineralogist'
_journal_page_first              709
_journal_page_last               731
_journal_volume                  57
_journal_year                    1972
_chemical_formula_sum            'Mg2 O4 Si'
_[local]_cod_chemical_formula_sum_orig 'Si Mg2 O4'
_chemical_name_mineral           Mg2SiO4
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.0
_cell_angle_gamma                90
_cell_length_a                   10.05
_cell_length_b                   5.75
_cell_length_c                   4.87
_cell_volume                     281.425
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.33300 0.00000 0.89870
Mg1 0.00000 0.00000 0.00000
Mg2 0.50000 0.00000 0.50000
Mg3 0.25000 0.25000 0.50000
O1 0.81940 0.00000 0.22200
O2 0.33410 0.00000 0.23530
O3 0.09080 0.27030 0.22530