The material structure described by Ba2MnRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(5), two equivalent O(6), three equivalent O(1), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Ba site, Ba(2) is bonded to one O(5), two equivalent O(6), three equivalent O(3), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(2)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(2)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third Ba site, Ba(3) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Ru(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Mn(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Ru site, Ru(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Mn(1), and one Ru(1) atom. In the second O site, O(6) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Mn(1), and one Ru(1) atom to form a mixture of distorted corner and face-sharing OBa4MnRu octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Ba(3), three equivalent Ba(1), one Mn(2), and one Ru(1) atom. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(1), one Mn(2), and one Ru(1) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Ru(2) atom. In the sixth O site, O(4) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Ru(2) atom. is represented by the CIF card [CIF]
data_Ba2MnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   5.851
_cell_length_c   14.394
_cell_angle_alpha   88.618
_cell_angle_beta   88.618
_cell_angle_gamma   59.971
_symmetry_Int_Tables_number   1
_cell_volume   426.427
_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  0.333  0.333  0.407  1.0
  Ba  Ba1  1  0.667  0.667  0.593  1.0
  Ba  Ba2  1  0.667  0.667  0.908  1.0
  Ba  Ba3  1  0.333  0.333  0.092  1.0
  Ba  Ba4  1  0.000  0.000  0.248  1.0
  Ba  Ba5  1  1.000  1.000  0.752  1.0
  Mn  Mn6  1  0.334  0.334  0.847  1.0
  Mn  Mn7  1  0.666  0.666  0.153  1.0
  Mn  Mn8  1  0.000  0.000  0.500  1.0
  Ru  Ru9  1  0.668  0.668  0.343  1.0
  Ru  Ru10  1  0.332  0.332  0.657  1.0
  Ru  Ru11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.818  0.818  0.420  1.0
  O  O13  1  0.823  0.329  0.412  1.0
  O  O14  1  0.329  0.823  0.412  1.0
  O  O15  1  0.182  0.182  0.580  1.0
  O  O16  1  0.177  0.671  0.588  1.0
  O  O17  1  0.671  0.177  0.588  1.0
  O  O18  1  0.167  0.167  0.919  1.0
  O  O19  1  0.161  0.681  0.921  1.0
  O  O20  1  0.681  0.161  0.921  1.0
  O  O21  1  0.833  0.833  0.081  1.0
  O  O22  1  0.839  0.319  0.079  1.0
  O  O23  1  0.319  0.839  0.079  1.0
  O  O24  1  0.521  0.521  0.245  1.0
  O  O25  1  0.515  0.973  0.255  1.0
  O  O26  1  0.973  0.515  0.255  1.0
  O  O27  1  0.479  0.479  0.755  1.0
  O  O28  1  0.485  0.027  0.745  1.0
  O  O29  1  0.027  0.485  0.745  1.0
[/CIF]
.
The material structure described by Ba2MnRuO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to one O(5), two equivalent O(6), three equivalent O(1), and six equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Mn(1)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Mn(2)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-9°. In the second Ba site, Ba(2) is bonded to one O(5), two equivalent O(6), three equivalent O(3), and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(3)O12 cuboctahedra, corners with six equivalent Ba(2)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(2)O6 octahedra, and faces with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third Ba site, Ba(3) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(6) atoms to form BaO12 cuboctahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ba(2)O12 cuboctahedra, corners with six equivalent Ba(3)O12 cuboctahedra, faces with three equivalent Ba(1)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Ru(2)O6 octahedra, faces with three equivalent Mn(1)O6 octahedra, and faces with three equivalent Ru(1)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent Ba(1)O12 cuboctahedra, corners with three equivalent Ru(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 4-8°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with three equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Mn(2)O6 octahedra, faces with three equivalent Ba(3)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Ru site, Ru(2) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form RuO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, faces with two equivalent Ba(3)O12 cuboctahedra, and faces with six equivalent Ba(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Mn(1), and one Ru(1) atom. In the second O site, O(6) is bonded to one Ba(1), one Ba(2), two equivalent Ba(3), one Mn(1), and one Ru(1) atom to form a mixture of distorted corner and face-sharing OBa4MnRu octahedra. The corner-sharing octahedral tilt angles range from 6-60°. In the third O site, O(1) is bonded in a 2-coordinate geometry to one Ba(3), three equivalent Ba(1), one Mn(2), and one Ru(1) atom. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(1), one Mn(2), and one Ru(1) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Ru(2) atom. In the sixth O site, O(4) is bonded in a distorted linear geometry to one Ba(3), three equivalent Ba(2), one Mn(1), and one Ru(2) atom. is represented by the CIF card [CIF]
data_Ba2MnRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.851
_cell_length_b   5.851
_cell_length_c   14.394
_cell_angle_alpha   88.618
_cell_angle_beta   88.618
_cell_angle_gamma   59.971
_symmetry_Int_Tables_number   1
_cell_volume   426.427
_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  0.333  0.333  0.407  1.0
  Ba  Ba1  1  0.667  0.667  0.593  1.0
  Ba  Ba2  1  0.667  0.667  0.908  1.0
  Ba  Ba3  1  0.333  0.333  0.092  1.0
  Ba  Ba4  1  0.000  0.000  0.248  1.0
  Ba  Ba5  1  1.000  1.000  0.752  1.0
  Mn  Mn6  1  0.334  0.334  0.847  1.0
  Mn  Mn7  1  0.666  0.666  0.153  1.0
  Mn  Mn8  1  0.000  0.000  0.500  1.0
  Ru  Ru9  1  0.668  0.668  0.343  1.0
  Ru  Ru10  1  0.332  0.332  0.657  1.0
  Ru  Ru11  1  0.000  0.000  0.000  1.0
  O  O12  1  0.818  0.818  0.420  1.0
  O  O13  1  0.823  0.329  0.412  1.0
  O  O14  1  0.329  0.823  0.412  1.0
  O  O15  1  0.182  0.182  0.580  1.0
  O  O16  1  0.177  0.671  0.588  1.0
  O  O17  1  0.671  0.177  0.588  1.0
  O  O18  1  0.167  0.167  0.919  1.0
  O  O19  1  0.161  0.681  0.921  1.0
  O  O20  1  0.681  0.161  0.921  1.0
  O  O21  1  0.833  0.833  0.081  1.0
  O  O22  1  0.839  0.319  0.079  1.0
  O  O23  1  0.319  0.839  0.079  1.0
  O  O24  1  0.521  0.521  0.245  1.0
  O  O25  1  0.515  0.973  0.255  1.0
  O  O26  1  0.973  0.515  0.255  1.0
  O  O27  1  0.479  0.479  0.755  1.0
  O  O28  1  0.485  0.027  0.745  1.0
  O  O29  1  0.027  0.485  0.745  1.0
[/CIF]
.