The material described by SrRuO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Imma 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 15-20°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_SrRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.555
_cell_length_b   5.555
_cell_length_c   5.555
_cell_angle_alpha   120.298
_cell_angle_beta   119.163
_cell_angle_gamma   90.470
_symmetry_Int_Tables_number   1
_cell_volume   121.671
_cell_formula_units_Z   2
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  0.247  0.250  0.997  1.0
  Sr  Sr1  1  0.753  0.750  0.003  1.0
  Ru  Ru2  1  0.500  0.000  0.500  1.0
  Ru  Ru3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.784  0.784  0.500  1.0
  O  O5  1  0.688  0.250  0.438  1.0
  O  O6  1  0.216  0.716  0.000  1.0
  O  O7  1  0.784  0.284  0.000  1.0
  O  O8  1  0.312  0.750  0.562  1.0
  O  O9  1  0.216  0.216  0.500  1.0
[/CIF]
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The material described by SrRuO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Imma 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 15-20°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to four equivalent Sr(1) and two equivalent Ru(1) atoms. is represented by the CIF card [CIF]
data_SrRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.555
_cell_length_b   5.555
_cell_length_c   5.555
_cell_angle_alpha   120.298
_cell_angle_beta   119.163
_cell_angle_gamma   90.470
_symmetry_Int_Tables_number   1
_cell_volume   121.671
_cell_formula_units_Z   2
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  0.247  0.250  0.997  1.0
  Sr  Sr1  1  0.753  0.750  0.003  1.0
  Ru  Ru2  1  0.500  0.000  0.500  1.0
  Ru  Ru3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.784  0.784  0.500  1.0
  O  O5  1  0.688  0.250  0.438  1.0
  O  O6  1  0.216  0.716  0.000  1.0
  O  O7  1  0.784  0.284  0.000  1.0
  O  O8  1  0.312  0.750  0.562  1.0
  O  O9  1  0.216  0.216  0.500  1.0
[/CIF]
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