data_9007432
_publ_section_title
;
 Uber die verfeinerung der kristallstrukturbestimmung einiger vertreter
 des rutiltyps: TiO2, SnO2, GeO2 und MgF2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              515
_journal_page_last               520
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Rutile
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.594
_cell_length_b                   4.594
_cell_length_c                   2.959
_cell_volume                     62.449
_exptl_crystal_density_diffrn    4.248
_[local]_cod_chemical_formula_sum_orig 'Ti O2'
_cod_database_code               9007432
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ti 0.00000 0.00000 0.00000 0.00887
O 0.30600 0.30600 0.00000 0.00887
