data_9015114
_publ_section_title
;
 An X-Ray Examination of Titanium Nitride. II.
 _cod_database_code 1010200
;
_journal_name_full               'Acta Physicochimica'
_journal_page_first              887
_journal_page_last               902
_journal_volume                  10
_journal_year                    1939
_chemical_formula_sum            'Cl4 N4 Ti'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.72
_cell_length_b                   7.72
_cell_length_c                   7.72
_cell_volume                     460.100
_database_code_amcsd             0017136
_exptl_crystal_density_diffrn    1.774
_[local]_cod_chemical_formula_sum_orig 'Ti Cl4 N4'
_cod_database_code               9015114
_amcsd_formula_title             'Cl4 H12 N4 Ti'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ti1 0.00000 0.00000 0.00000
Cl1 0.00000 0.00000 0.26500
Cl2 0.00000 0.50000 0.25000
N1 0.30000 0.30000 0.00000
