data_2310356
_publ_section_title
;
 The crystal structures of W Te2 and high-temperature Mo Te2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              268
_journal_page_last               274
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'Mo Te2'
_chemical_name_systematic        'Mo Te2'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.917
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.33
_cell_length_b                   3.469
_cell_length_c                   13.86
_cell_volume                     303.638
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Brown_ACCRA9_1966_1087.cif
_cod_data_source_block           Mo1Te2
_cod_original_cell_volume        303.6376
_cod_chemical_formula_sum_orig   'Mo1 Te2'
_cod_database_code               2310356
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
Te3 Te 0.5568 -0.25 0.3516 1 0.0
Te1 Te 0.5888 0.25 0.1045 1 0.0
Te2 Te 0.097 -0.25 0.1486 1 0.0
Mo2 Mo 0.3181 -0.25 0.5066 1 0.0
Te4 Te 0.0563 0.25 0.3955 1 0.0
Mo1 Mo 0.1833 0.25 0.0074 1 0.0
