data_1528330
_publ_section_title
;
 Die Struktur von Ti As
;
_journal_name_full               'Monatshefte fuer Chemie (-108,1977)'
_journal_page_first              39
_journal_page_last               43
_journal_volume                  86
_journal_year                    1955
_chemical_formula_sum            'As Ti'
_chemical_name_systematic        'Ti As'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   3.65
_cell_length_b                   3.65
_cell_length_c                   12.3
_cell_volume                     141.913
_citation_journal_id_ASTM        MOCHAP
_cod_data_source_file            Bachmayer_MOCHAP_1955_281.cif
_cod_data_source_block           As1Ti1
_cod_original_cell_volume        141.9128
_cod_chemical_formula_sum_orig   'As1 Ti1'
_cod_database_code               1528330
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
As1 As-3 0 0 0 1 0.0
As2 As-3 0.3333 0.6667 0.75 1 0.0
Ti1 Ti+3 0.3333 0.6667 0.125 1 0.0
