data_1528043
_publ_section_title
;
 Phases and phase relations in the partial system Ti Al3 - Ti Al
;
_journal_name_full               'Zeitschrift fuer Metallkunde'
_journal_page_first              389
_journal_page_last               396
_journal_volume                  81
_journal_year                    1990
_chemical_formula_sum            'Al2 Ti'
_chemical_name_systematic        'Al2 Ti'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0944
_cell_length_b                   3.9591
_cell_length_c                   4.0315
_cell_volume                     193.040
_citation_journal_id_ASTM        ZEMTAE
_cod_data_source_file            Schuster_ZEMTAE_1990_189.cif
_cod_data_source_block           Al2Ti1
_cod_original_cell_volume        193.0401
_cod_chemical_formula_sum_orig   'Al2 Ti1'
_cod_database_code               1528043
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-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
-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
Al1 Al 0 0 0 1 0.0
Al3 Al 0.176 0 0.5 1 0.0
Ti1 Ti 0.351 0 0 1 0.0
Al2 Al 0.5 0 0.5 1 0.0
