The material structure described by Ba2CoRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Ru(3)O6 octahedra, and faces with three equivalent Co(3)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to three equivalent O(4), three equivalent O(6), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Co(3)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the fourth Ba site, Ba(4) is bonded to three equivalent O(3), three equivalent O(5), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ru(3)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ru(1)O6 octahedra, faces with three equivalent Co(1)O6 octahedra, and faces with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fifth Ba site, Ba(5) is bonded to three equivalent O(2), three equivalent O(5), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Co(3)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Ru(3)O6 octahedra, and faces with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the sixth Ba site, Ba(6) is bonded to three equivalent O(1), three equivalent O(6), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ru(3)O6 octahedra, faces with three equivalent Ru(2)O6 octahedra, and faces with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Co(1)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ru site, Ru(2) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Co(2)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Ru site, Ru(3) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form RuO6 octahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Co(2)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Co(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Ru(2)O6 octahedra, corners with three equivalent Ru(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third Co site, Co(3) is bonded to three equivalent O(4) and three equivalent O(5) atoms to form distorted CoO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Co(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(6), two equivalent Ba(5), one Ru(3), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(5), two equivalent Ba(6), one Ru(2), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(2), one Ba(4), two equivalent Ba(3), one Ru(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(4), one Co(1), and one Co(3) atom. In the fifth O site, O(5) is bonded to one Ba(4), one Ba(5), two equivalent Ba(1), one Ru(3), and one Co(3) atom to form a mixture of distorted corner and face-sharing OBa4CoRu octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the sixth O site, O(6) is bonded to one Ba(3), one Ba(6), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 4-60°. is represented by the CIF card [CIF]
data_Ba2CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.815
_cell_length_b   5.815
_cell_length_c   14.142
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   414.178
_cell_formula_units_Z   3
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  0.000  0.000  0.254  1.0
  Ba  Ba1  1  0.000  0.000  0.749  1.0
  Ba  Ba2  1  0.667  0.333  0.584  1.0
  Ba  Ba3  1  0.333  0.667  0.407  1.0
  Ba  Ba4  1  0.333  0.667  0.091  1.0
  Ba  Ba5  1  0.667  0.333  0.913  1.0
  Co  Co6  1  0.000  0.000  0.496  1.0
  Co  Co7  1  0.000  0.000  0.002  1.0
  Co  Co8  1  0.667  0.333  0.352  1.0
  Ru  Ru9  1  0.333  0.667  0.660  1.0
  Ru  Ru10  1  0.333  0.667  0.840  1.0
  Ru  Ru11  1  0.667  0.333  0.159  1.0
  O  O12  1  0.346  0.173  0.083  1.0
  O  O13  1  0.827  0.173  0.083  1.0
  O  O14  1  0.827  0.654  0.083  1.0
  O  O15  1  0.656  0.828  0.914  1.0
  O  O16  1  0.172  0.828  0.914  1.0
  O  O17  1  0.172  0.344  0.914  1.0
  O  O18  1  0.659  0.829  0.586  1.0
  O  O19  1  0.171  0.829  0.586  1.0
  O  O20  1  0.171  0.341  0.586  1.0
  O  O21  1  0.342  0.171  0.416  1.0
  O  O22  1  0.829  0.171  0.416  1.0
  O  O23  1  0.829  0.658  0.416  1.0
  O  O24  1  0.967  0.484  0.248  1.0
  O  O25  1  0.516  0.484  0.248  1.0
  O  O26  1  0.516  0.033  0.248  1.0
  O  O27  1  0.017  0.509  0.750  1.0
  O  O28  1  0.491  0.509  0.750  1.0
  O  O29  1  0.491  0.983  0.750  1.0
[/CIF]
.
The material structure described by Ba2CoRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(1), three equivalent O(4), and six equivalent O(5) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ba(6)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Ru(3)O6 octahedra, and faces with three equivalent Co(3)O6 octahedra. In the second Ba site, Ba(2) is bonded to three equivalent O(2), three equivalent O(3), and six equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ba(5)O12 cuboctahedra, corners with six equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Ru(2)O6 octahedra. In the third Ba site, Ba(3) is bonded to three equivalent O(4), three equivalent O(6), and six equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra,  a faceface with one Co(3)O6 octahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the fourth Ba site, Ba(4) is bonded to three equivalent O(3), three equivalent O(5), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Ru(3)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra,  a faceface with one Ru(1)O6 octahedra, faces with three equivalent Co(1)O6 octahedra, and faces with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fifth Ba site, Ba(5) is bonded to three equivalent O(2), three equivalent O(5), and six equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Co(3)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Ru(3)O6 octahedra, and faces with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the sixth Ba site, Ba(6) is bonded to three equivalent O(1), three equivalent O(6), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with six equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra,  a faceface with one Ru(3)O6 octahedra, faces with three equivalent Ru(2)O6 octahedra, and faces with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(6)O12 cuboctahedra, corners with three equivalent Co(1)O6 octahedra,  a faceface with one Ba(4)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Ru site, Ru(2) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with three equivalent Co(2)O6 octahedra,  a faceface with one Ba(5)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ba(6)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Ru site, Ru(3) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form RuO6 octahedra that share corners with three equivalent Ba(4)O12 cuboctahedra, corners with three equivalent Co(2)O6 octahedra,  a faceface with one Ba(6)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and  a faceface with one Co(3)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, and faces with three equivalent Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Ru(2)O6 octahedra, corners with three equivalent Ru(3)O6 octahedra,  a faceface with one Ba(1)O12 cuboctahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(5)O12 cuboctahedra, and faces with three equivalent Ba(6)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third Co site, Co(3) is bonded to three equivalent O(4) and three equivalent O(5) atoms to form distorted CoO6 octahedra that share corners with three equivalent Ba(5)O12 cuboctahedra, corners with three equivalent Co(1)O6 octahedra,  a faceface with one Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ru(3)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(1), one Ba(6), two equivalent Ba(5), one Ru(3), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(2), one Ba(5), two equivalent Ba(6), one Ru(2), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Ba(2), one Ba(4), two equivalent Ba(3), one Ru(1), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(1), one Ba(3), two equivalent Ba(4), one Co(1), and one Co(3) atom. In the fifth O site, O(5) is bonded to one Ba(4), one Ba(5), two equivalent Ba(1), one Ru(3), and one Co(3) atom to form a mixture of distorted corner and face-sharing OBa4CoRu octahedra. The corner-sharing octahedral tilt angles range from 7-60°. In the sixth O site, O(6) is bonded to one Ba(3), one Ba(6), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 4-60°. is represented by the CIF card [CIF]
data_Ba2CoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.815
_cell_length_b   5.815
_cell_length_c   14.142
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   414.178
_cell_formula_units_Z   3
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  0.000  0.000  0.254  1.0
  Ba  Ba1  1  0.000  0.000  0.749  1.0
  Ba  Ba2  1  0.667  0.333  0.584  1.0
  Ba  Ba3  1  0.333  0.667  0.407  1.0
  Ba  Ba4  1  0.333  0.667  0.091  1.0
  Ba  Ba5  1  0.667  0.333  0.913  1.0
  Co  Co6  1  0.000  0.000  0.496  1.0
  Co  Co7  1  0.000  0.000  0.002  1.0
  Co  Co8  1  0.667  0.333  0.352  1.0
  Ru  Ru9  1  0.333  0.667  0.660  1.0
  Ru  Ru10  1  0.333  0.667  0.840  1.0
  Ru  Ru11  1  0.667  0.333  0.159  1.0
  O  O12  1  0.346  0.173  0.083  1.0
  O  O13  1  0.827  0.173  0.083  1.0
  O  O14  1  0.827  0.654  0.083  1.0
  O  O15  1  0.656  0.828  0.914  1.0
  O  O16  1  0.172  0.828  0.914  1.0
  O  O17  1  0.172  0.344  0.914  1.0
  O  O18  1  0.659  0.829  0.586  1.0
  O  O19  1  0.171  0.829  0.586  1.0
  O  O20  1  0.171  0.341  0.586  1.0
  O  O21  1  0.342  0.171  0.416  1.0
  O  O22  1  0.829  0.171  0.416  1.0
  O  O23  1  0.829  0.658  0.416  1.0
  O  O24  1  0.967  0.484  0.248  1.0
  O  O25  1  0.516  0.484  0.248  1.0
  O  O26  1  0.516  0.033  0.248  1.0
  O  O27  1  0.017  0.509  0.750  1.0
  O  O28  1  0.491  0.509  0.750  1.0
  O  O29  1  0.491  0.983  0.750  1.0
[/CIF]
.