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#$Date: 2016-12-18 03:27:53 +0200 (Sun, 18 Dec 2016) $
#$Revision: 189186 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/73/1527377.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_1527377
loop_
_publ_author_name
'Foss, O.'
'Tjomsland, O.'
_publ_section_title
;
 The crystal structure of monoclinic barium telluro pentathionate
 dihydrate
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              52
_journal_page_last               62
_journal_volume                  12
_journal_year                    1958
_chemical_formula_sum            'Ba H4 O8 S4 Te'
_chemical_name_systematic        'Ba Te (S2 O3)2 (H2 O)2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.99
_cell_length_b                   10.59
_cell_length_c                   23.61
_cell_volume                     1235.507
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Foss_ACSAA4_1958_1721.cif
_cod_data_source_block           H4Ba1O8S4Te1
_cod_original_sg_symbol_Hall     '-C 2y (z,y,-x)'
_cod_original_formula_sum        'H4 Ba1 O8 S4 Te1'
_cod_database_code               1527377
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x,y+1/2,z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x,-y+1/2,z+1/2
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
_atom_site_attached_hydrogens
O1 O-2 0.739 0 0.262 1 0.0 2
O3 O-2 0.623 0.241 0.322 1 0.0 0
S2 S-2 0.413 0.171 0.4224 1 0.0 0
O4 O-2 0.24 0.36 0.343 1 0.0 0
S1 S+6 0.365 0.24 0.3382 1 0.0 0
Ba1 Ba+2 0.198 0 0.2045 1 0.0 0
O5 O-2 0.211 0.146 0.303 1 0.0 0
Te1 Te+2 0.712 0 0.4238 1 0.0 0
O2 O-2 0.2 0 0.091 1 0.0 2
