#------------------------------------------------------------------------------
#$Date: 2015-09-18 02:09:42 +0200 (vie 18 de sep de 2015) $
#$Revision: 157531 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002529.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_4002529
loop_
_publ_author_name
'Nalini, G.'
'Guru Row, T.N.'
_publ_section_title
;
 Variable temperature X-ray crystal structure analysis of a type I
 langbeinite: Rb2 Cd2 (S O4)3
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4729
_journal_page_last               4735
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Cd2 O12 Rb2 S3'
_chemical_name_systematic        'Rb2 Cd2 (S O4)3'
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.378
_cell_length_b                   10.378
_cell_length_c                   10.378
_cell_volume                     1117.741
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Nalini_CMATEX_2002_1676.cif
_cod_data_source_block           Cd2O12Rb2S3
_cod_database_code               4002529
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
z,x,y
-z+1/2,-x,y+1/2
z+1/2,-x+1/2,-y
-z,x+1/2,-y+1/2
y,z,x
y+1/2,-z+1/2,-x
-y,z+1/2,-x+1/2
-y+1/2,-z,x+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
Cd1 Cd+2 0.168 0.168 0.168 1 0.0
Cd2 Cd+2 0.9118 0.9118 0.9118 1 0.0
O2 O-2 -0.0918 0.8523 0.2494 1 0.0
Rb1 Rb+1 0.815 0.315 0.185 1 0.0
O3 O-2 0.7772 0.0342 0.3126 1 0.0
O1 O-2 0.8298 0.0015 0.0909 1 0.0
Rb2 Rb+1 0.5514 -0.0514 0.0514 1 0.0
O4 O-2 -0.0068 0.0637 0.2459 1 0.0
S1 S+6 0.8758 -0.0132 0.2239 1 0.0
