data_RuO2

_chemical_name_systematic          'Ruthenium(IV) oxide'
_chemical_formula_structural       'Ru O2'
_chemical_formula_sum              'O2 Ru'

_cell_length_a                     4.4968(2)
_cell_length_b                     4.4968(2)
_cell_length_c                     3.1049(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       62.8
_cell_formula_units_Z              2

_symmetry_space_group_name_H-M     'P 42/m n m'
_symmetry_Int_Tables_number        136
_symmetry_cell_setting             tetragonal

loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ru4+   4.000
  O2-   -2.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Ru1   Ru4+   2 a 0. 0. 0. 1.  0 d
  O1    O2-    4 f 0.3053(1) 0.3053(1) 0. 1.  0 d

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
  Ru1   0.0039(2) -0.0007(2) 0. 0.0039(2) 0. 0.0044(5)
  O1    0.0063(3) -0.0021(2) 0. 0.0063(3) 0. 0.0070(4)