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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/42/8104226.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_8104226
loop_
_publ_author_name
'Kokkoros, P.A.'
'Rentzeperis, P.J.'
_publ_section_title
;
 The crystal structure of the anhydrous cadmium and mercuric sulfates
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              234
_journal_page_last               244
_journal_volume                  119
_journal_year                    1963
_chemical_formula_sum            'Hg O4 S'
_chemical_name_systematic        'Hg (S O4)'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 -2bc'
_symmetry_space_group_name_H-M   'P n 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.785
_cell_length_b                   4.821
_cell_length_c                   6.581
_cell_volume                     151.814
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Kokkoros_ZEKGAX_1963_967.cif
_cod_data_source_block           Hg1O4S1
_cod_original_cell_volume        151.8137
_cod_original_sg_symbol_Hall     'P 2ac -2 (y,z,x)'
_cod_original_formula_sum        'Hg1 O4 S1'
_cod_database_code               8104226
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
x,y,-z
-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
O2 O-2 0.7 0.062 0 1 0.0
O1 O-2 0.363 0.682 0 1 0.0
O3 O-2 0.812 0.655 0.19 1 0.0
Hg1 Hg+2 0.172 0.25 0 1 0.0
S1 S+6 0.674 0.75 0 1 0.0
