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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/1/53/58/1535897.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_1535897
loop_
_publ_author_name
'Iskhakova, L.D.'
'Gasanov, Yu.M.'
_publ_section_title
;
 Double sulfates M3 TR (S O4)3 (M= K, Rb) with frame-structure
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              110
_journal_page_last               115
_journal_volume                  32
_journal_year                    1991
_chemical_formula_sum            'O12 Rb3 S3 Tm'
_chemical_name_systematic        'Rb3 Tm (S O4)3'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.49
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.649
_cell_length_b                   15.149
_cell_length_c                   9.32
_cell_volume                     1239.237
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Iskhakova_ZSTKAI_1991_1157.cif
_cod_data_source_block           O12Rb3S3Tm1
_cod_original_formula_sum        'O12 Rb3 S3 Tm1'
_cod_database_code               1535897
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-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
O5 O-2 0.041 0.6408 0.833 1 0.0
O6 O-2 0.112 0.7803 0.78 1 0.0
O9 O-2 0.09 0.8823 0.142 1 0.0
O1 O-2 0.748 0.6649 0.102 1 0.0
O11 O-2 0.829 0.932 -0.003 1 0.0
Rb1 Rb+1 0.1685 0.5186 0.1175 1 0.0
O10 O-2 0.036 0.0359 0.15 1 0.0
O7 O-2 0.243 0.6472 0.784 1 0.0
Tm1 Tm+3 0 0.16045 0 1 0.0
S1 S+6 0.9087 0.3549 0.7442 1 0.0
S2 S+6 0.1679 0.6929 0.8587 1 0.0
O8 O-2 0.797 0.2047 0.045 1 0.0
O3 O-2 0.971 0.2864 0.878 1 0.0
Rb3 Rb+1 0.3041 0.746 0.3499 1 0.0
O4 O-2 -0.044 0.641 0.167 1 0.0
Rb2 Rb+1 0.2725 0.0659 0.5173 1 0.0
S3 S+6 -0.0131 0.9427 0.1456 1 0.0
O12 O-2 -0.005 0.0675 0.807 1 0.0
O2 O-2 0.913 0.438 0.827 1 0.0
