#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301778 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/54/1535480.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_1535480
loop_
_publ_author_name
'Moodenbaugh, A.R.'
'Hartt, J.E.'
'Youngblood, R.W.'
'Hurst, J.J.'
'Cox, D.E.'
'Frazer, B.C.'
_publ_section_title
;
 Neutron diffraction study of polycrystalline H2 S O4 and H2 Se O4
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              3501
_journal_page_last               3505
_journal_volume                  28
_journal_year                    1983
_chemical_formula_sum            'H2 O4 S'
_chemical_name_systematic        'H2 S O4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 111.081
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.131
_cell_length_b                   4.7673
_cell_length_c                   8.6335
_cell_volume                     312.262
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Moodenbaugh_PRBMDO_1983_682.cif
_cod_data_source_block           H2O4S1
_cod_original_cell_volume        312.2618
_cod_original_formula_sum        'H2 O4 S1'
_cod_database_code               1535480
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-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
H1 H+1 -0.14 0.346 0.374 1 0.0
O2 O-2 0.168 -0.089 0.326 1 0.0
O1 O-2 -0.023 0.28 0.375 1 0.0
S1 S+6 0 0.028 0.25 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 1118
