The material structure described by Ba2RuNiO6 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with nine equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ni(1)O6 octahedra, and faces with six equivalent Ru(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ru(1)O6 octahedra, and faces with six equivalent Ni(1)O6 octahedra. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ni(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Ni(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(1), and one Ni(1) atom to form distorted OBa4NiRu octahedra that share corners with five equivalent O(3)Ba4Ni2 octahedra, corners with five equivalent O(2)Ba4Ru2 octahedra, corners with twelve equivalent O(1)Ba4NiRu octahedra, edges with two equivalent O(3)Ba4Ni2 octahedra, edges with two equivalent O(2)Ba4Ru2 octahedra, faces with two equivalent O(3)Ba4Ni2 octahedra, faces with two equivalent O(2)Ba4Ru2 octahedra, and faces with four equivalent O(1)Ba4NiRu octahedra. The corner-sharing octahedral tilt angles range from 0-71°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(1) atoms to form distorted OBa4Ru2 octahedra that share corners with six equivalent O(3)Ba4Ni2 octahedra, corners with six equivalent O(2)Ba4Ru2 octahedra, corners with ten equivalent O(1)Ba4NiRu octahedra, edges with four equivalent O(1)Ba4NiRu octahedra, faces with four equivalent O(1)Ba4NiRu octahedra, and faces with four equivalent O(2)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(3), and two equivalent Ni(1) atoms to form distorted OBa4Ni2 octahedra that share corners with six equivalent O(3)Ba4Ni2 octahedra, corners with six equivalent O(2)Ba4Ru2 octahedra, corners with ten equivalent O(1)Ba4NiRu octahedra, edges with four equivalent O(1)Ba4NiRu octahedra, faces with four equivalent O(3)Ba4Ni2 octahedra, and faces with four equivalent O(1)Ba4NiRu octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF file [CIF]
data_Ba2NiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.783
_cell_length_c   19.298
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   558.853
_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
  Ba  Ba0  1  0.667  0.333  0.618  1.0
  Ba  Ba1  1  0.667  0.333  0.250  1.0
  Ba  Ba2  1  0.333  0.667  0.750  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Ba  Ba4  1  0.333  0.667  0.118  1.0
  Ba  Ba5  1  0.333  0.667  0.382  1.0
  Ba  Ba6  1  0.667  0.333  0.882  1.0
  Ba  Ba7  1  0.000  0.000  0.000  1.0
  Ni  Ni8  1  0.667  0.333  0.444  1.0
  Ni  Ni9  1  0.333  0.667  0.556  1.0
  Ni  Ni10  1  0.667  0.333  0.056  1.0
  Ni  Ni11  1  0.333  0.667  0.944  1.0
  Ru  Ru12  1  0.000  0.000  0.677  1.0
  Ru  Ru13  1  0.000  0.000  0.323  1.0
  Ru  Ru14  1  0.000  0.000  0.823  1.0
  Ru  Ru15  1  0.000  0.000  0.177  1.0
  O  O16  1  0.167  0.833  0.628  1.0
  O  O17  1  0.849  0.699  0.750  1.0
  O  O18  1  0.167  0.334  0.872  1.0
  O  O19  1  0.833  0.167  0.372  1.0
  O  O20  1  0.167  0.334  0.628  1.0
  O  O21  1  0.500  0.000  0.000  1.0
  O  O22  1  0.666  0.833  0.628  1.0
  O  O23  1  0.151  0.301  0.250  1.0
  O  O24  1  0.151  0.849  0.250  1.0
  O  O25  1  0.833  0.666  0.128  1.0
  O  O26  1  0.301  0.151  0.750  1.0
  O  O27  1  0.334  0.167  0.128  1.0
  O  O28  1  0.500  0.000  0.500  1.0
  O  O29  1  0.699  0.849  0.250  1.0
  O  O30  1  0.334  0.167  0.372  1.0
  O  O31  1  0.833  0.167  0.128  1.0
  O  O32  1  0.833  0.666  0.372  1.0
  O  O33  1  0.000  0.500  0.500  1.0
  O  O34  1  0.500  0.500  0.500  1.0
  O  O35  1  0.666  0.833  0.872  1.0
  O  O36  1  0.849  0.151  0.750  1.0
  O  O37  1  0.000  0.500  0.000  1.0
  O  O38  1  0.167  0.833  0.872  1.0
  O  O39  1  0.500  0.500  0.000  1.0
[/CIF]
.
The material structure described by Ba2RuNiO6 is (Cubic) Perovskite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with nine equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ba site, Ba(2) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ni(1)O6 octahedra, and faces with six equivalent Ru(1)O6 octahedra. In the third Ba site, Ba(3) is bonded to six equivalent O(1) and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with six equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ru(1)O6 octahedra, and faces with six equivalent Ni(1)O6 octahedra. Ru(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form RuO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ni(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 10°. Ni(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), one Ba(3), two equivalent Ba(1), one Ru(1), and one Ni(1) atom to form distorted OBa4NiRu octahedra that share corners with five equivalent O(3)Ba4Ni2 octahedra, corners with five equivalent O(2)Ba4Ru2 octahedra, corners with twelve equivalent O(1)Ba4NiRu octahedra, edges with two equivalent O(3)Ba4Ni2 octahedra, edges with two equivalent O(2)Ba4Ru2 octahedra, faces with two equivalent O(3)Ba4Ni2 octahedra, faces with two equivalent O(2)Ba4Ru2 octahedra, and faces with four equivalent O(1)Ba4NiRu octahedra. The corner-sharing octahedral tilt angles range from 0-71°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(1) atoms to form distorted OBa4Ru2 octahedra that share corners with six equivalent O(3)Ba4Ni2 octahedra, corners with six equivalent O(2)Ba4Ru2 octahedra, corners with ten equivalent O(1)Ba4NiRu octahedra, edges with four equivalent O(1)Ba4NiRu octahedra, faces with four equivalent O(1)Ba4NiRu octahedra, and faces with four equivalent O(2)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(3), and two equivalent Ni(1) atoms to form distorted OBa4Ni2 octahedra that share corners with six equivalent O(3)Ba4Ni2 octahedra, corners with six equivalent O(2)Ba4Ru2 octahedra, corners with ten equivalent O(1)Ba4NiRu octahedra, edges with four equivalent O(1)Ba4NiRu octahedra, faces with four equivalent O(3)Ba4Ni2 octahedra, and faces with four equivalent O(1)Ba4NiRu octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF file [CIF]
data_Ba2NiRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.783
_cell_length_b   5.783
_cell_length_c   19.298
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   558.853
_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
  Ba  Ba0  1  0.667  0.333  0.618  1.0
  Ba  Ba1  1  0.667  0.333  0.250  1.0
  Ba  Ba2  1  0.333  0.667  0.750  1.0
  Ba  Ba3  1  0.000  0.000  0.500  1.0
  Ba  Ba4  1  0.333  0.667  0.118  1.0
  Ba  Ba5  1  0.333  0.667  0.382  1.0
  Ba  Ba6  1  0.667  0.333  0.882  1.0
  Ba  Ba7  1  0.000  0.000  0.000  1.0
  Ni  Ni8  1  0.667  0.333  0.444  1.0
  Ni  Ni9  1  0.333  0.667  0.556  1.0
  Ni  Ni10  1  0.667  0.333  0.056  1.0
  Ni  Ni11  1  0.333  0.667  0.944  1.0
  Ru  Ru12  1  0.000  0.000  0.677  1.0
  Ru  Ru13  1  0.000  0.000  0.323  1.0
  Ru  Ru14  1  0.000  0.000  0.823  1.0
  Ru  Ru15  1  0.000  0.000  0.177  1.0
  O  O16  1  0.167  0.833  0.628  1.0
  O  O17  1  0.849  0.699  0.750  1.0
  O  O18  1  0.167  0.334  0.872  1.0
  O  O19  1  0.833  0.167  0.372  1.0
  O  O20  1  0.167  0.334  0.628  1.0
  O  O21  1  0.500  0.000  0.000  1.0
  O  O22  1  0.666  0.833  0.628  1.0
  O  O23  1  0.151  0.301  0.250  1.0
  O  O24  1  0.151  0.849  0.250  1.0
  O  O25  1  0.833  0.666  0.128  1.0
  O  O26  1  0.301  0.151  0.750  1.0
  O  O27  1  0.334  0.167  0.128  1.0
  O  O28  1  0.500  0.000  0.500  1.0
  O  O29  1  0.699  0.849  0.250  1.0
  O  O30  1  0.334  0.167  0.372  1.0
  O  O31  1  0.833  0.167  0.128  1.0
  O  O32  1  0.833  0.666  0.372  1.0
  O  O33  1  0.000  0.500  0.500  1.0
  O  O34  1  0.500  0.500  0.500  1.0
  O  O35  1  0.666  0.833  0.872  1.0
  O  O36  1  0.849  0.151  0.750  1.0
  O  O37  1  0.000  0.500  0.000  1.0
  O  O38  1  0.167  0.833  0.872  1.0
  O  O39  1  0.500  0.500  0.000  1.0
[/CIF]
.