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#$Date: 2016-12-18 02:18:26 +0100 (dom 18 de dic de 2016) $
#$Revision: 189185 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310720.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_2310720
loop_
_publ_author_name
'Abrahams, S. C.'
_publ_section_title
;
 The crystal structure of barium tetrasulfide monohydrate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              423
_journal_page_last               429
_journal_paper_doi               10.1107/S0365110X54001272
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'Ba H2 O S4'
_chemical_name_systematic        'Ba S4 (H2 O)'
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.67
_cell_length_b                   7.99
_cell_length_c                   7.81
_cell_volume                     603.426
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Abrahams_ACCRA9_1954_211.cif
_cod_data_source_block           H2Ba1O1S4
_cod_original_cell_volume        603.4263
_cod_original_formula_sum        'H2 Ba1 O1 S4'
_cod_database_code               2310720
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,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
_atom_site_attached_hydrogens
S1 S 0.104 0.471 0.633 1 0.0 0
S4 S 0.467 0.378 0.141 1 0.0 0
S2 S-1 0.182 -0.399 0.432 1 0.0 0
O2 O-2 0 0.5 0.054 1 0.0 2
Ba1 Ba+2 0.1195 0.2501 0.2477 1 0.0 0
O1 O-2 0 0 0.448 1 0.0 2
S3 S-1 0.33 0.362 0.946 1 0.0 0
