data_1528192
_publ_section_title
;
 Die Kristallstruktur und das Schwingungsspektrum von Titantrichloridazid,
 Ti Cl3 N3
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              3039
_journal_page_last               3046
_journal_volume                  109
_journal_year                    1976
_chemical_formula_sum            'Cl3 N3 Ti'
_chemical_name_systematic        'Ti Cl3 N3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.4
_cell_angle_beta                 101
_cell_angle_gamma                89.7
_cell_formula_units_Z            2
_cell_length_a                   6.71
_cell_length_b                   7.6
_cell_length_c                   5.81
_cell_volume                     288.364
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Wellern_CHBEAM_1976_1770.cif
_cod_data_source_block           Cl3N3Ti1
_cod_original_cell_volume        288.3638
_cod_chemical_formula_sum_orig   'Cl3 N3 Ti1'
_cod_database_code               1528192
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
Cl3 Cl-1 -0.344 0.25 0.3765 1 0.0
N1 N 0.113 0.12 0.607 1 0.0
N3 N 0.372 0.325 0.806 1 0.0
Ti1 Ti+4 -0.066 0.1339 0.2818 1 0.0
Cl2 Cl-1 0.0867 0.3803 0.2371 1 0.0
Cl1 Cl-1 -0.2305 0.0354 -0.1074 1 0.0
N2 N 0.249 0.228 0.71 1 0.0
