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#$Date: 2015-09-04 17:28:00 +0200 (vie 04 de sep de 2015) $
#$Revision: 154161 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/96/1529674.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_1529674
loop_
_publ_author_name
'Boller, H.'
'Quint, R.'
_publ_section_title
;
 On the crystal structure of Hollandite-like Tlx V5 O8. Evidence for
 one-dimensional cation order
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              254
_journal_page_last               256
_journal_volume                  28
_journal_year                    1988
_chemical_formula_sum            'S8 Tl0.83 V5'
_chemical_name_systematic        'Tl0.83 V5 S8'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.95
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.49
_cell_length_b                   3.297
_cell_length_c                   8.511
_cell_volume                     476.308
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            Boller_SSIOD3_1988_1682.cif
_cod_data_source_block           S8Tl0.83V5
_cod_original_cell_volume        476.3079
_cod_database_code               1529674
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
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
Tl1 Tl+1 0 0 0 0.835 0.0
V2 V+3 0.7905 0 0.1454 1 0.0
V3 V+3 0.1504 0 0.4913 1 0.0
S2 S-2 0.2594 0 0.341 1 0.0
S4 S-2 0.9261 0 0.3239 1 0.0
S1 S-2 0.6609 0 0.0015 1 0.0
V1 V+3 0 0.5 0.5 1 0.0
S3 S-2 0.5851 0 0.3169 1 0.0
