#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/69/9016992.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_9016992
loop_
_publ_author_name
'Finkelstein, G. J.'
'Dera, P. K.'
'Jahn, S.'
'Oganov, A. R.'
'Holl, C. M.'
'Meng, Y.'
'Duffy, T. S.'
_publ_section_title
;
 Phase transitions and equation of state of forsterite to 90 GPa from single-crystal
 X-ray diffraction and molecular modeling
 Note: P = 52.4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              35
_journal_page_last               43
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg2 O4 Si'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                93.100
_cell_angle_beta                 107.264
_cell_angle_gamma                98.133
_cell_length_a                   4.695
_cell_length_b                   9.201
_cell_length_c                   5.311
_cell_formula_units_Z            4
_cell_volume                     215.766
_database_code_amcsd             0020328
_diffrn_ambient_pressure         5.24e+07
_exptl_crystal_density_diffrn    4.331
_cod_data_source_file            inputs/fixed/downloads/05/05623.cif
_cod_data_source_block           05623
_cod_original_formula_sum        'Mg2 Si O4'
_cod_database_code               9016992
_amcsd_formula_title             Mg2SiO4
loop_
_space_group_symop_operation_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Mg1 0.97140 0.09660 0.64150
Mg2 0.04190 0.93540 0.05670
Mg3 0.00260 0.66560 0.73620
Mg4 0.50650 0.51600 0.84880
Mg5 0.53860 0.79050 0.13880
Mg6 0.01050 0.36660 0.96140
Mg7 0.47460 0.24140 0.55880
Mg8 0.50650 0.51610 0.34890
Si1 0.00480 0.38750 0.45640
Si2 0.00830 0.64450 0.24120
Si3 0.61360 0.12390 0.09510
Si4 0.39950 0.90810 0.60270
O1 0.27020 0.84300 0.81930
O2 0.78650 0.69950 0.96800
O3 0.76280 0.22870 0.37170
O4 0.27560 0.04740 0.49280
O5 0.74290 0.18910 0.87860
O6 0.22660 0.33250 0.72970
O7 0.25060 0.80320 0.32620
O8 0.78330 0.69470 0.40290
O9 0.79240 0.46220 0.17350
O10 0.73720 0.98450 0.20480
O11 0.22040 0.56980 0.52430
O12 0.77600 0.44750 0.64500
O13 0.26850 0.11090 0.00310
O14 0.23700 0.58470 0.05280
O15 0.23000 0.33740 0.29470
O16 0.74460 0.92110 0.69500
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020328
