The crystal structure described by SrRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(2) and eight equivalent O(1) atoms. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   5.575
_cell_length_c   7.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.425
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.478  0.497  0.250  1.0
  Sr  Sr1  1  0.978  0.003  0.250  1.0
  Sr  Sr2  1  0.522  0.503  0.750  1.0
  Sr  Sr3  1  0.022  0.997  0.750  1.0
  Ru  Ru4  1  0.500  0.000  0.000  1.0
  Ru  Ru5  1  0.000  0.500  0.500  1.0
  Ru  Ru6  1  0.500  0.000  0.500  1.0
  Ru  Ru7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.221  0.221  0.029  1.0
  O  O9  1  0.721  0.279  0.471  1.0
  O  O10  1  0.779  0.779  0.529  1.0
  O  O11  1  0.279  0.721  0.971  1.0
  O  O12  1  0.779  0.779  0.971  1.0
  O  O13  1  0.279  0.721  0.529  1.0
  O  O14  1  0.221  0.221  0.471  1.0
  O  O15  1  0.721  0.279  0.029  1.0
  O  O16  1  0.004  0.555  0.250  1.0
  O  O17  1  0.504  0.945  0.250  1.0
  O  O18  1  0.996  0.445  0.750  1.0
  O  O19  1  0.496  0.055  0.750  1.0
[/CIF]
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The crystal structure described by SrRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(2) and eight equivalent O(1) atoms. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   5.575
_cell_length_c   7.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   243.425
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sr  Sr0  1  0.478  0.497  0.250  1.0
  Sr  Sr1  1  0.978  0.003  0.250  1.0
  Sr  Sr2  1  0.522  0.503  0.750  1.0
  Sr  Sr3  1  0.022  0.997  0.750  1.0
  Ru  Ru4  1  0.500  0.000  0.000  1.0
  Ru  Ru5  1  0.000  0.500  0.500  1.0
  Ru  Ru6  1  0.500  0.000  0.500  1.0
  Ru  Ru7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.221  0.221  0.029  1.0
  O  O9  1  0.721  0.279  0.471  1.0
  O  O10  1  0.779  0.779  0.529  1.0
  O  O11  1  0.279  0.721  0.971  1.0
  O  O12  1  0.779  0.779  0.971  1.0
  O  O13  1  0.279  0.721  0.529  1.0
  O  O14  1  0.221  0.221  0.471  1.0
  O  O15  1  0.721  0.279  0.029  1.0
  O  O16  1  0.004  0.555  0.250  1.0
  O  O17  1  0.504  0.945  0.250  1.0
  O  O18  1  0.996  0.445  0.750  1.0
  O  O19  1  0.496  0.055  0.750  1.0
[/CIF]
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