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#$Date: 2025-08-18 18:02:58 +0300 (Mon, 18 Aug 2025) $
#$Revision: 301777 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/42/1524206.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_1524206
loop_
_publ_author_name
'Chia, H.C.'
'Yu, F.C.'
'Chin, C.S.'
_publ_section_title
;
 Determination of Oxygen Position in the Structure of Barite by Means of
 Single-Crystal Neutron Diffraction
;
_journal_name_full               'Scientia Sinica'
_journal_page_first              1541
_journal_page_last               1544
_journal_volume                  14
_journal_year                    1965
_chemical_formula_sum            'Ba O2 S'
_chemical_name_systematic        'Ba S O4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.87
_cell_length_b                   5.54
_cell_length_c                   7.15
_cell_volume                     351.350
_citation_journal_id_ASTM        SSINAV
_cod_data_source_file            Chia_SSINAV_1965_14.cif
_cod_data_source_block           Ba1O2S1
_cod_original_cell_volume        351.3496
_cod_original_formula_sum        'Ba1 O2 S1'
_cod_database_code               1524206
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
S1 S+6 0.444 0.75 0.195 1 0.0
O1 O-2 0.318 0.75 0.039 1 0.0
O2 O-2 0.089 0.75 0.403 1 0.0
Ba1 Ba+2 0.179 0.25 0.157 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139045872
