The material structure described by Y2RuNiO6 crystallizes in the monoclinic P2_1/c space group. Y(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 37-40°. 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 37-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1), one Ru(1), and one Ni(1) atom to form distorted corner-sharing OY2NiRu trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(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 Y(1), one Ru(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_Y2NiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.713
_cell_length_b   5.319
_cell_length_c   9.302
_cell_angle_alpha   55.414
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   232.725
_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
  Y  Y0  1  0.078  0.724  0.752  1.0
  Y  Y1  1  0.922  0.276  0.248  1.0
  Y  Y2  1  0.578  0.276  0.748  1.0
  Y  Y3  1  0.422  0.724  0.252  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  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  0.000  0.000  1.0
  O  O8  1  0.457  0.875  0.748  1.0
  O  O9  1  0.543  0.125  0.252  1.0
  O  O10  1  0.957  0.125  0.752  1.0
  O  O11  1  0.043  0.875  0.248  1.0
  O  O12  1  0.801  0.753  0.565  1.0
  O  O13  1  0.199  0.247  0.435  1.0
  O  O14  1  0.301  0.247  0.935  1.0
  O  O15  1  0.699  0.753  0.065  1.0
  O  O16  1  0.310  0.631  0.558  1.0
  O  O17  1  0.690  0.369  0.442  1.0
  O  O18  1  0.810  0.369  0.942  1.0
  O  O19  1  0.190  0.631  0.058  1.0
[/CIF]
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The material structure described by Y2RuNiO6 crystallizes in the monoclinic P2_1/c space group. Y(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 37-40°. 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 37-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Y(1), one Ru(1), and one Ni(1) atom to form distorted corner-sharing OY2NiRu trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to three equivalent Y(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 Y(1), one Ru(1), and one Ni(1) atom. is represented by the CIF card [CIF]
data_Y2NiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.713
_cell_length_b   5.319
_cell_length_c   9.302
_cell_angle_alpha   55.414
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   232.725
_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
  Y  Y0  1  0.078  0.724  0.752  1.0
  Y  Y1  1  0.922  0.276  0.248  1.0
  Y  Y2  1  0.578  0.276  0.748  1.0
  Y  Y3  1  0.422  0.724  0.252  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  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  0.000  0.000  1.0
  O  O8  1  0.457  0.875  0.748  1.0
  O  O9  1  0.543  0.125  0.252  1.0
  O  O10  1  0.957  0.125  0.752  1.0
  O  O11  1  0.043  0.875  0.248  1.0
  O  O12  1  0.801  0.753  0.565  1.0
  O  O13  1  0.199  0.247  0.435  1.0
  O  O14  1  0.301  0.247  0.935  1.0
  O  O15  1  0.699  0.753  0.065  1.0
  O  O16  1  0.310  0.631  0.558  1.0
  O  O17  1  0.690  0.369  0.442  1.0
  O  O18  1  0.810  0.369  0.942  1.0
  O  O19  1  0.190  0.631  0.058  1.0
[/CIF]
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