data_1509557
_publ_section_title
;
 Modifications structurales
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              939
_journal_page_last               944
_journal_paper_doi               10.1016/0022-3697(88)90011-X
_journal_volume                  49
_journal_year                    1988
_chemical_formula_sum            'Ag Te Tl'
_chemical_name_systematic        'Ag Tl Te'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.754
_cell_length_b                   4.854
_cell_length_c                   7.75
_cell_volume                     329.312
_citation_journal_id_ASTM        JPCSAW
_[local]_cod_data_source_file    silver1-2_553.cif
_[local]_cod_data_source_block   Ag1Te1Tl1
_[local]_cod_chemical_formula_sum_orig 'Ag1 Te1 Tl1'
_cod_original_cell_volume        329.3123
_cod_database_code               1509557
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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 0.4899 0.25 0.3254 1 0.0
Te1 Te-2 0.3141 0.25 0.8933 1 0.0
Ag1 Ag+1 0.1613 0.25 0.5794 1 0.0
