data_1524378
_publ_section_title
;
 Preparation, properties and crystal structure of Tl V5 S8
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1
_journal_page_last               6
_journal_volume                  12
_journal_year                    1977
_chemical_formula_sum            'S8 Tl V5'
_chemical_name_systematic        'Tl V5 S8'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.94
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.465
_cell_length_b                   3.301
_cell_length_c                   8.519
_cell_volume                     476.672
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Founes_MRBUAC_1977_308.cif
_cod_data_source_block           S8Tl1V5
_cod_original_cell_volume        476.6724
_cod_chemical_formula_sum_orig   'S8 Tl1 V5'
_cod_database_code               1524378
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-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
S2 S-2 0.2595 0.036 0.3411 1 0.0
Tl1 Tl+1 0 0 0 1 0.0
V2 V+3 0 0.555 0.5 1 0.0
V3 V+3 0.1507 0.044 0.4912 1 0.0
S3 S-2 0.0849 0.537 0.3168 1 0.0
S1 S-2 0.1614 0.541 0.0013 1 0.0
V1 V+3 0.2906 0.539 0.1462 1 0.0
S4 S-2 0.4261 0.521 0.3244 1 0.0
