The material structure described by LaRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Ru(1) atoms to form distorted OLa2Ru2 tetrahedra that share corners with eight equivalent O(2)La3Ru2 square pyramids, corners with four equivalent O(1)La2Ru2 tetrahedra, and edges with six equivalent O(2)La3Ru2 square pyramids. In the second O site, O(2) is bonded to three equivalent La(1) and two equivalent Ru(1) atoms to form distorted OLa3Ru2 square pyramids that share corners with nine equivalent O(2)La3Ru2 square pyramids, corners with four equivalent O(1)La2Ru2 tetrahedra, edges with six equivalent O(2)La3Ru2 square pyramids, and edges with three equivalent O(1)La2Ru2 tetrahedra. is represented by the CIF file [CIF]
data_LaRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.913
_cell_length_c   7.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.624
_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
  La  La0  1  0.020  0.935  0.750  1.0
  La  La1  1  0.520  0.565  0.250  1.0
  La  La2  1  0.480  0.435  0.750  1.0
  La  La3  1  0.980  0.065  0.250  1.0
  Ru  Ru4  1  0.500  0.000  0.500  1.0
  Ru  Ru5  1  0.000  0.500  0.500  1.0
  Ru  Ru6  1  0.000  0.500  0.000  1.0
  Ru  Ru7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.901  0.534  0.750  1.0
  O  O9  1  0.401  0.966  0.250  1.0
  O  O10  1  0.599  0.034  0.750  1.0
  O  O11  1  0.099  0.466  0.250  1.0
  O  O12  1  0.692  0.299  0.450  1.0
  O  O13  1  0.192  0.201  0.550  1.0
  O  O14  1  0.808  0.799  0.050  1.0
  O  O15  1  0.308  0.701  0.950  1.0
  O  O16  1  0.692  0.299  0.050  1.0
  O  O17  1  0.192  0.201  0.950  1.0
  O  O18  1  0.808  0.799  0.450  1.0
  O  O19  1  0.308  0.701  0.550  1.0
[/CIF]
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The material structure described by LaRuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ru(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1) and two equivalent Ru(1) atoms to form distorted OLa2Ru2 tetrahedra that share corners with eight equivalent O(2)La3Ru2 square pyramids, corners with four equivalent O(1)La2Ru2 tetrahedra, and edges with six equivalent O(2)La3Ru2 square pyramids. In the second O site, O(2) is bonded to three equivalent La(1) and two equivalent Ru(1) atoms to form distorted OLa3Ru2 square pyramids that share corners with nine equivalent O(2)La3Ru2 square pyramids, corners with four equivalent O(1)La2Ru2 tetrahedra, edges with six equivalent O(2)La3Ru2 square pyramids, and edges with three equivalent O(1)La2Ru2 tetrahedra. is represented by the CIF file [CIF]
data_LaRuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.476
_cell_length_b   5.913
_cell_length_c   7.925
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   256.624
_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
  La  La0  1  0.020  0.935  0.750  1.0
  La  La1  1  0.520  0.565  0.250  1.0
  La  La2  1  0.480  0.435  0.750  1.0
  La  La3  1  0.980  0.065  0.250  1.0
  Ru  Ru4  1  0.500  0.000  0.500  1.0
  Ru  Ru5  1  0.000  0.500  0.500  1.0
  Ru  Ru6  1  0.000  0.500  0.000  1.0
  Ru  Ru7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.901  0.534  0.750  1.0
  O  O9  1  0.401  0.966  0.250  1.0
  O  O10  1  0.599  0.034  0.750  1.0
  O  O11  1  0.099  0.466  0.250  1.0
  O  O12  1  0.692  0.299  0.450  1.0
  O  O13  1  0.192  0.201  0.550  1.0
  O  O14  1  0.808  0.799  0.050  1.0
  O  O15  1  0.308  0.701  0.950  1.0
  O  O16  1  0.692  0.299  0.050  1.0
  O  O17  1  0.192  0.201  0.950  1.0
  O  O18  1  0.808  0.799  0.450  1.0
  O  O19  1  0.308  0.701  0.550  1.0
[/CIF]
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