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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/55/1535535.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_1535535
loop_
_publ_author_name
'Tougait, O.'
'Noel, H.'
'Ibers, J.A.'
_publ_section_title
;
 Serendipitous syntheses of the series Cs3 Ln7 Te12 (Ln = Sm, Gd, Tb):
 compounds with large tunnels
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              513
_journal_page_last               518
_journal_volume                  3
_journal_year                    2001
_chemical_formula_sum            'Cs3 Gd7 Te12'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.6064
_cell_length_b                   28.209
_cell_length_c                   4.4324
_cell_volume                     1701.257
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Tougait_SSSCFJ_2001_95.cif
_cod_data_source_block           Cs3Gd7Te12
_cod_database_code               1535535
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z-1/2
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
Cs1 Cs+1 0.78217 0.13028 0 1 0.0
Te2 Te-2 0.07334 0.32228 0 1 0.0
Te4 Te-2 0.34434 0.48041 0 1 0.0
Gd4 Gd+3 0 0 0 1 0.0
Cs2 Cs+1 0.06561 0.46908 0 0.5 0.0
Gd3 Gd+3 0.41759 0.18253 0 1 0.0
Te5 Te-2 0.37191 0.07657 0 1 0.0
Te3 Te-2 0.24913 0.69779 0 1 0.0
Gd1 Gd+3 0.08657 0.21262 0 1 0.0
Te6 Te-2 0.43392 0.28989 0 1 0.0
Te1 Te-2 0.06162 0.1042 0 1 0.0
Gd2 Gd+3 0.28441 0.58481 0 1 0.0
