#------------------------------------------------------------------------------
#$Date: 2024-04-18 16:56:43 +0100 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/02/9000271.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_9000271
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 I
;
_journal_name_full               'American Mineralogist'
_journal_page_first              709
_journal_page_last               731
_journal_volume                  57
_journal_year                    1972
_chemical_compound_source        hypothetical
_chemical_formula_structural     'Mg2 (Si O4)'
_chemical_formula_sum            'Mg2 O4 Si'
_space_group_IT_number           10
_symmetry_space_group_name_Hall  '-P 2y'
_symmetry_space_group_name_H-M   'P 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.
_cell_angle_gamma                90
_cell_length_a                   10.11
_cell_length_b                   5.77
_cell_length_c                   4.70
_cell_formula_units_Z            4
_cell_volume                     274.173
_database_code_amcsd             0000280
_exptl_crystal_density_diffrn    3.408
_cod_original_formula_sum        'Si Mg2 O4'
_cod_database_code               9000271
_amcsd_formula_title             Mg2SiO4
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,z
-x,y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 0.84200 0.50000 0.87520
Si2 0.32260 0.00000 0.88240
Mg1 0.50000 0.50000 0.00000
Mg2 0.00000 0.00000 0.50000
Mg3 0.00000 0.50000 0.50000
Mg4 0.50000 0.00000 0.50000
Mg5 0.24820 0.25270 0.49900
O1 0.31540 0.50000 0.21050
O2 0.16420 0.50000 0.77570
O3 0.83050 0.00000 0.23340
O4 0.33300 0.00000 0.23090
O5 0.08510 0.26010 0.22870
O6 0.59320 0.22810 0.22100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000280