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#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/56/2005699.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_2005699
_journal_name_full               'Acta Crystallographica C'
_journal_volume                  52
_journal_year       1996
_journal_page_first    	2954
_journal_page_last    	2956
_publ_section_title
;
Langbeinite-Type Cubic Dithallium Dicadmium Sulphate
;
_chemical_formula_moiety    	'Tl2 Cd2 (S O4 )3'
_chemical_formula_sum            'Cd2 O12 S3 Tl2'
_[local]_cod_chemical_formula_sum_orig 'Cd2 O12 S3 Tl2 '
_chemical_formula_weight    	921.732
_symmetry_cell_setting    	cubic
loop_
_symmetry_equiv_pos_as_xyz
    'x,y,z'
    '1/2-x,-y,1/2+z'
    '-x,1/2+y,1/2-z'
    '1/2+x,1/2-y,-z'
    'z,x,y'
    '1/2+z,1/2-x,-y'
    '1/2-z,-x,1/2+y'
    '-z,1/2+x,1/2-y'
    'y,z,x'
    '-y,1/2+z,1/2-x'
    '1/2+y,1/2-z,-x'
    '1/2-y,-z,1/2+x'
_symmetry_space_group_name_H-M    	'P 21 3'
_cell_length_a    	10.421(1)
_cell_length_b    	10.421(1)
_cell_length_c    	10.421(1)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	1131.7(3)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	5.410
_cell_measurement_temperature    	295
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Tl1 .18250(8) .31750(8) .68250(8) .0313(2)
    Tl2 .44820(8) .94820(8) .55180(8) .0349(2)
    Cd1 .33219(11) .33219(11) .33219(11) .0214(2)
    Cd2 .58961(11) .58961(11) .58961(11) .0203(2)
    S .2778(4) .6242(4) .5141(4) .0169(9)
    O1 .1839(17) .718(2) .462(2) .048(7)
    O2 .4042(13) .6732(19) .4999(19) .040(5)
    O3 .259(2) .5121(18) .439(3) .051(7)
    O4 .253(2) .5981(16) .6447(13) .042(6)
_cod_database_code 2005699