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#$Date: 2022-09-15 18:23:29 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277888 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/20/27/7202756.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_7202756
loop_
_publ_author_name
'Bromley, Stefan T.'
_publ_section_title
;
 A computational study into the viability of new molecular materials
 polymorphs based on fully-coordinated inorganic nanoclusters
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              463
_journal_paper_doi               10.1039/b701689a
_journal_volume                  9
_journal_year                    2007
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_audit_creation_date             'Wed Feb 21 18:35:37 2007'
_audit_creation_method           'generated by GDIS v0.87'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_length_a                   8.2485
_cell_length_b                   5.1435
_cell_length_c                   4.7170
_cell_volume                     200.124
_cod_data_source_file            b701689a.txt
_cod_data_source_block           block_1
_cod_struct_determination_method theoretical
_cod_database_code               7202756
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.5000 0.5000 0.7500
Si 0.5000 0.5000 0.2500
O 0.6010 0.6646 0.5000
O 0.3990 0.3354 0.5000
O 0.6010 0.3354 0.0000
O 0.3990 0.6646 0.0000
Si 0.0000 0.0000 0.2500
Si 1.0000 0.0000 0.7500
O 0.1010 0.1646 0.0000
O 0.8990 0.8354 0.0000
O 0.1010 0.8354 0.5000
O 0.8990 0.1646 0.5000
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2022-09-15T18:20:00+03:00
;
 Added an explicit space group operation list and updated space group
 information.
;
