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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/35/8103529.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_8103529
loop_
_publ_author_name
'Aurivillius, K.'
'Stalhandske, C.'
_publ_section_title
;
 Reinvestigation of the crystal structures of Hg S O4 and Cd S O4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              121
_journal_page_last               129
_journal_volume                  153
_journal_year                    1980
_chemical_formula_sum            'Cd O4 S'
_chemical_name_systematic        'Cd (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                   4.6982
_cell_length_b                   4.7191
_cell_length_c                   6.5578
_cell_volume                     145.395
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Aurivillius_ZEKRDZ_1980_283.cif
_cod_data_source_block           Cd1O4S1
_cod_original_cell_volume        145.3948
_cod_original_sg_symbol_Hall     'P 2ac -2 (y,z,x)'
_cod_original_formula_sum        'Cd1 O4 S1'
_cod_database_code               8103529
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
O1 O-2 0.36 0.6703 0 1 0.0
S1 S+6 0.6657 0.7306 0 1 0.0
O2 O-2 0.7009 0.0421 0 1 0.0
Cd1 Cd+2 0.14161 0.25 0 1 0.0
O3 O-2 0.8052 0.6013 0.1798 1 0.0
