#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/37/1533737.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_1533737
loop_
_publ_author_name
'Spiess, M.'
'Gruehn, R.'
_publ_section_title
;
 Zum Hochtemperaturverhalten von Cd S O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              16
_journal_page_last               28
_journal_volume                  455
_journal_year                    1979
_chemical_formula_sum            'Cd O4 S'
_chemical_name_systematic        'Cd (S O4)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.012
_cell_length_b                   5.012
_cell_length_c                   7.637
_cell_volume                     166.141
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Spiess_ZAACAB_1979_25.cif
_cod_data_source_block           Cd1O4S1
_cod_original_cell_volume        166.1405
_cod_original_formula_sum        'Cd1 O4 S1'
_cod_database_code               1533737
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
O3 O-2 0.187 -0.187 0.71 1 0.0
S1 S+6 0.6667 0.3333 0.234 1 0.0
O4 O-2 0.803 -0.803 0.314 1 0.0
Cd1 Cd+2 0 0 0.504 1 0.0
O2 O-2 0.3333 0.6667 0.955 1 0.0
O1 O-2 0.6667 0.3333 0.026 1 0.0
S2 S+6 0.3333 0.6667 0.764 1 0.0
Cd2 Cd+2 0.6667 0.3333 0.689 1 0.0
