#------------------------------------------------------------------------------
#$Date: 2024-04-18 16:56:43 +0100 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/02/9000272.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_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_compound_source        hypothetical
_chemical_formula_structural     'Mg2 (Si O4)'
_chemical_formula_sum            'Mg2 O4 Si'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_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_formula_units_Z            4
_cell_volume                     281.425
_database_code_amcsd             0000281
_exptl_crystal_density_diffrn    3.321
_cod_original_formula_sum        'Si Mg2 O4'
_cod_database_code               9000272
_amcsd_formula_title             Mg2SiO4
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000281