data_9009121
_publ_section_title
;
 Second edition. Interscience Publishers, New York, New York
 Note: cadmium iodide structure
;
_journal_name_full               'Crystal Structures'
_journal_page_first              239
_journal_page_last               444
_journal_volume                  1
_journal_year                    1963
_chemical_formula_structural     TiCl2
_chemical_formula_sum            'Cl2 Ti'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.561
_cell_length_b                   3.561
_cell_length_c                   5.875
_cell_volume                     64.518
_exptl_crystal_density_diffrn    3.057
_[local]_cod_chemical_formula_sum_orig 'Ti Cl2'
_cod_database_code               9009121
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,-x+y,-z
-x,-x+y,-z
-x+y,-x,z
-x+y,y,z
-x,-y,-z
y,x,-z
-y,x-y,z
x,x-y,z
x-y,x,-z
x-y,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti 0.00000 0.00000 0.00000
Cl 0.33333 0.66667 0.25000
