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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/1/52/57/1525784.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_1525784
loop_
_publ_author_name
'Choi, K.-S.'
'Kanatzidis, M.G.'
_publ_section_title
;
 Unique periodic modulations in the infinite (Tex)(n-) chains of Rb U
 Sb0.33 Te6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              17
_journal_page_last               22
_journal_volume                  161
_journal_year                    2001
_chemical_formula_sum            'Rb Sb0.33 Te6 U'
_chemical_name_systematic        'Rb U Sb0.33 Te6'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   15.741
_cell_length_b                   15.741
_cell_length_c                   24.382
_cell_volume                     5231.962
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Choi_JSSCBI_2001_1679.cif
_cod_data_source_block           Rb1Sb0.33Te6U1
_cod_original_formula_sum        'Rb1 Sb0.33 Te6 U1'
_cod_database_code               1525784
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
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
Rb8 Rb+1 0.322 0.345 0.198 0.151 0.0
Te1 Te-1 0.2699 0.1603 0.6637 1 0.0
Te5 Te-1 0.269 0.1579 0.3337 1 0.0
Sb2 Sb+3 0 0 0.212 0.498 0.0
Rb1 Rb+1 0 0 0.6677 0.498 0.0
Rb4 Rb+1 0 0 0.3652 0.498 0.0
Rb2 Rb+1 0 0 0.6281 0.502 0.0
U1 U+4 0.3332 -0.0003 0 1 0.0
Te11 Te-1 0.2754 0.7816 0.1655 1 0.0
Te12 Te-1 0.4233 0.1763 0.7527 1 0.0
Te9 Te-1 0.2706 0.1594 0.0019 1 0.0
Te8 Te-1 0.422 0.1798 0.0826 1 0.0
Te6 Te-1 0.1533 -0.0894 0.917 1 0.0
Te4 Te-1 0.0869 0.2418 0.0833 1 0.0
Rb5 Rb+1 0 0 0.9994 1 0.0
Te7 Te-1 0.5589 0.1577 0.1717 1 0.0
U2 U+4 0.3325 0.0017 0.1666 1 0.0
Rb7 Rb+1 0.343 0.334 0.134 0.179 0.0
Rb3 Rb+1 0 0 0.3302 0.502 0.0
Sb4 Sb+3 0.3368 0.3319 0.0468 0.151 0.0
Sb1 Sb+3 0.6667 0.3333 0.1169 0.502 0.0
Te10 Te-1 0.4234 0.177 0.914 1 0.0
Sb3 Sb+3 0.3279 0.3304 0.6183 0.179 0.0
Rb6 Rb+1 0.33 0.3317 0.1675 0.67 0.0
Te2 Te-1 0.4233 0.1779 0.5831 1 0.0
Te3 Te-1 0.1733 0.0679 0.1617 1 0.0
