The crystal structure described by La2NiRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one Ru(1), and one Ni(1) atom to form distorted corner-sharing OLa2NiRu tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ru(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ru(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_La2NiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.751
_cell_length_b   5.554
_cell_length_c   9.651
_cell_angle_alpha   55.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.061
_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
  La  La0  1  0.944  0.237  0.750  1.0
  La  La1  1  0.444  0.763  0.750  1.0
  La  La2  1  0.056  0.763  0.250  1.0
  La  La3  1  0.556  0.237  0.250  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  Ru  Ru6  1  0.500  0.000  0.000  1.0
  Ru  Ru7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.523  0.336  0.753  1.0
  O  O9  1  0.023  0.664  0.747  1.0
  O  O10  1  0.477  0.664  0.247  1.0
  O  O11  1  0.977  0.336  0.253  1.0
  O  O12  1  0.208  0.851  0.951  1.0
  O  O13  1  0.708  0.149  0.549  1.0
  O  O14  1  0.792  0.149  0.049  1.0
  O  O15  1  0.292  0.851  0.451  1.0
  O  O16  1  0.800  0.750  0.456  1.0
  O  O17  1  0.300  0.250  0.044  1.0
  O  O18  1  0.200  0.250  0.544  1.0
  O  O19  1  0.700  0.750  0.956  1.0
[/CIF]
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The crystal structure described by La2NiRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 8-coordinate geometry to two equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form RuO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent La(1), one Ru(1), and one Ni(1) atom to form distorted corner-sharing OLa2NiRu tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ru(1), and one Ni(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to three equivalent La(1), one Ru(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_La2NiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.751
_cell_length_b   5.554
_cell_length_c   9.651
_cell_angle_alpha   55.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   253.061
_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
  La  La0  1  0.944  0.237  0.750  1.0
  La  La1  1  0.444  0.763  0.750  1.0
  La  La2  1  0.056  0.763  0.250  1.0
  La  La3  1  0.556  0.237  0.250  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.000  0.500  0.000  1.0
  Ru  Ru6  1  0.500  0.000  0.000  1.0
  Ru  Ru7  1  0.000  0.000  0.500  1.0
  O  O8  1  0.523  0.336  0.753  1.0
  O  O9  1  0.023  0.664  0.747  1.0
  O  O10  1  0.477  0.664  0.247  1.0
  O  O11  1  0.977  0.336  0.253  1.0
  O  O12  1  0.208  0.851  0.951  1.0
  O  O13  1  0.708  0.149  0.549  1.0
  O  O14  1  0.792  0.149  0.049  1.0
  O  O15  1  0.292  0.851  0.451  1.0
  O  O16  1  0.800  0.750  0.456  1.0
  O  O17  1  0.300  0.250  0.044  1.0
  O  O18  1  0.200  0.250  0.544  1.0
  O  O19  1  0.700  0.750  0.956  1.0
[/CIF]
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