#------------------------------------------------------------------------------
#$Date: 2024-10-29 03:55:59 +0100 (Tue 29 de Oct de 2024) $
#$Revision: 295660 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/29/1572960.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_1572960
loop_
_publ_author_name
'Jundullah Hanafi, Muchammad Izzuddin'
'Bastonero, Lorenzo'
'Murshed, Mohammad Mangir'
'Robben, Lars'
'Dononelli, Wilke'
'Kirsch, Andrea'
'Marzari, Nicola'
'Gesing, Thorsten M.'
_publ_section_title
;
 Synthesis, structural and spectroscopic characterization of defect-rich
 forsterite as a representative phase of Martian regolith.
;
_journal_issue                   6
_journal_name_full               IUCrJ
_journal_paper_doi               10.1107/S2052252524009722
_journal_volume                  11
_journal_year                    2024
_chemical_compound_source        computation
_chemical_formula_analytical     Mg8Si4O16
_chemical_formula_structural     Mg8Si4O16
_chemical_formula_sum            'Mg8 O16 Si4'
_chemical_formula_weight         562.764
_chemical_melting_point          ?
_chemical_name_common            'magnesium silicate'
_chemical_name_mineral           forsterite
_chemical_name_systematic        'magnesium silicate'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_method           manually
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            1
_cell_length_a                   4.756
_cell_length_b                   10.2035
_cell_length_c                   5.983
_cell_volume                     290.342
_computing_molecular_graphics
'Diamond version 4.6.8 (Crystal Impact, Germany)'
_cod_data_source_file            lt5071.cif
_cod_data_source_block           Mg2SiO4_CFO_USI_2121821137_GOSWD
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_cell_volume        290.3421
_cod_database_code               1572960
loop_
_space_group_symop_operation_xyz
'x, y, z '
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_B_iso_or_equiv
Mg1 Mg 1 0.99822 0.98017 0.97427 1 1.0000
Mg2 Mg 1 0.49368 0.48272 0.96067 1 1.0000
Mg3 Mg 1 0.01169 0.97974 0.49665 1 1.0000
Mg4 Mg 1 0.49429 0.46977 0.47276 1 1.0000
Mg5 Mg 1 0.99378 0.26421 0.23456 1 1.0000
Mg6 Mg 1 0.99914 0.70453 0.73384 1 1.0000
Mg7 Mg 1 0.47082 0.21384 0.74895 1 1.0000
Mg8 Mg 1 0.51793 0.75886 0.22990 1 1.0000
Si1 Si 1 0.44111 0.07540 0.21778 1 1.0000
Si2 Si 1 0.58066 0.88395 0.74506 1 1.0000
Si3 Si 1 0.90518 0.38689 0.72683 1 1.0000
Si4 Si 1 0.06964 0.57497 0.23562 1 1.0000
O1 O 1 0.78190 0.08165 0.25000 1 1.0000
O2 O 1 0.23398 0.87440 0.75503 1 1.0000
O3 O 1 0.24389 0.39509 0.71672 1 1.0000
O4 O 1 0.72579 0.56329 0.22887 1 1.0000
O5 O 1 0.22329 0.43161 0.20611 1 1.0000
O6 O 1 0.77945 0.53653 0.71535 1 1.0000
O7 O 1 0.69570 0.03887 0.72470 1 1.0000
O8 O 1 0.28710 0.93374 0.24016 1 1.0000
O9 O 1 0.25267 0.13875 0.02312 1 1.0000
O10 O 1 0.75156 0.81694 0.95708 1 1.0000
O11 O 1 0.78189 0.32007 0.95989 1 1.0000
O12 O 1 0.22027 0.65025 0.02257 1 1.0000
O13 O 1 0.72174 0.81902 0.52252 1 1.0000
O14 O 1 0.39092 0.08863 0.48436 1 1.0000
O15 O 1 0.19867 0.68165 0.41823 1 1.0000
O16 O 1 0.76081 0.30401 0.51973 1 1.0000
