The crystal structure described by Ba6MgPr2(Ru2O9)2 crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(4) and six equivalent O(2) atoms. In the second Ba site, Ba(2) 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, faces with two equivalent Pr(1)O6 octahedra, and faces with six equivalent Ru(1)O6 octahedra. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(2), and six equivalent O(1) atoms. In the fourth Ba site, Ba(4) is bonded to six equivalent O(2) and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(4)O12 cuboctahedra, faces with two equivalent Pr(1)O6 octahedra, and faces with six equivalent Ru(2)O6 octahedra. Mg(1) is bonded in a trigonal planar geometry to two equivalent Ba(3) and three equivalent O(3) atoms. Pr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form PrO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Ru(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, and  a faceface with one Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra, faces with three 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 Ru site, Ru(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form RuO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(3), one Pr(1), and one Ru(1) atom. In the second O site, O(2) is bonded to one Ba(3), one Ba(4), two equivalent Ba(1), one Pr(1), and one Ru(2) atom to form distorted OBa4PrRu octahedra that share corners with five equivalent O(4)Ba4Ru2 octahedra, corners with nine equivalent O(2)Ba4PrRu octahedra, edges with two equivalent O(4)Ba4Ru2 octahedra, faces with two equivalent O(4)Ba4Ru2 octahedra, and faces with four equivalent O(2)Ba4PrRu octahedra. The corner-sharing octahedral tilt angles range from 1-75°. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Mg(1), and two equivalent Ru(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(4), and two equivalent Ru(2) atoms to form distorted OBa4Ru2 octahedra that share corners with six equivalent O(4)Ba4Ru2 octahedra, corners with ten equivalent O(2)Ba4PrRu octahedra, edges with four equivalent O(2)Ba4PrRu octahedra, faces with four equivalent O(2)Ba4PrRu octahedra, and faces with four equivalent O(4)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 1-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba6Pr2Mg(Ru2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   6.030
_cell_length_c   15.521
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   488.761
_cell_formula_units_Z   1
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  0.667  0.615  1.0
  Ba  Ba1  1  0.000  0.000  0.250  1.0
  Ba  Ba2  1  0.667  0.333  0.452  1.0
  Ba  Ba3  1  0.667  0.333  0.048  1.0
  Ba  Ba4  1  0.333  0.667  0.885  1.0
  Ba  Ba5  1  0.000  0.000  0.750  1.0
  Pr  Pr6  1  0.000  0.000  0.502  1.0
  Pr  Pr7  1  0.000  0.000  0.998  1.0
  Mg  Mg8  1  0.667  0.333  0.250  1.0
  Ru  Ru9  1  0.333  0.667  0.340  1.0
  Ru  Ru10  1  0.667  0.333  0.831  1.0
  Ru  Ru11  1  0.667  0.333  0.669  1.0
  Ru  Ru12  1  0.333  0.667  0.160  1.0
  O  O13  1  0.178  0.822  0.091  1.0
  O  O14  1  0.178  0.356  0.091  1.0
  O  O15  1  0.644  0.822  0.091  1.0
  O  O16  1  0.357  0.179  0.592  1.0
  O  O17  1  0.821  0.643  0.908  1.0
  O  O18  1  0.821  0.179  0.592  1.0
  O  O19  1  0.821  0.643  0.592  1.0
  O  O20  1  0.178  0.822  0.409  1.0
  O  O21  1  0.644  0.822  0.409  1.0
  O  O22  1  0.357  0.179  0.908  1.0
  O  O23  1  0.821  0.179  0.908  1.0
  O  O24  1  0.178  0.356  0.409  1.0
  O  O25  1  0.487  0.974  0.250  1.0
  O  O26  1  0.510  0.490  0.750  1.0
  O  O27  1  0.979  0.490  0.750  1.0
  O  O28  1  0.026  0.513  0.250  1.0
  O  O29  1  0.487  0.513  0.250  1.0
  O  O30  1  0.510  0.021  0.750  1.0
[/CIF]
.
The crystal structure described by Ba6MgPr2(Ru2O9)2 crystallizes in the hexagonal P-6m2 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent O(4) and six equivalent O(2) atoms. In the second Ba site, Ba(2) 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, faces with two equivalent Pr(1)O6 octahedra, and faces with six equivalent Ru(1)O6 octahedra. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one Mg(1), three equivalent O(2), and six equivalent O(1) atoms. In the fourth Ba site, Ba(4) is bonded to six equivalent O(2) and six equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(4)O12 cuboctahedra, faces with two equivalent Pr(1)O6 octahedra, and faces with six equivalent Ru(2)O6 octahedra. Mg(1) is bonded in a trigonal planar geometry to two equivalent Ba(3) and three equivalent O(3) atoms. Pr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form PrO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Ru(2)O6 octahedra,  a faceface with one Ba(2)O12 cuboctahedra, and  a faceface with one Ba(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form RuO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra, faces with three 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 Ru site, Ru(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form RuO6 octahedra that share corners with three equivalent Pr(1)O6 octahedra, faces with three equivalent Ba(4)O12 cuboctahedra, and  a faceface with one Ru(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(3), one Pr(1), and one Ru(1) atom. In the second O site, O(2) is bonded to one Ba(3), one Ba(4), two equivalent Ba(1), one Pr(1), and one Ru(2) atom to form distorted OBa4PrRu octahedra that share corners with five equivalent O(4)Ba4Ru2 octahedra, corners with nine equivalent O(2)Ba4PrRu octahedra, edges with two equivalent O(4)Ba4Ru2 octahedra, faces with two equivalent O(4)Ba4Ru2 octahedra, and faces with four equivalent O(2)Ba4PrRu octahedra. The corner-sharing octahedral tilt angles range from 1-75°. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(2), one Mg(1), and two equivalent Ru(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Ba(1), two equivalent Ba(4), and two equivalent Ru(2) atoms to form distorted OBa4Ru2 octahedra that share corners with six equivalent O(4)Ba4Ru2 octahedra, corners with ten equivalent O(2)Ba4PrRu octahedra, edges with four equivalent O(2)Ba4PrRu octahedra, faces with four equivalent O(2)Ba4PrRu octahedra, and faces with four equivalent O(4)Ba4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 1-60°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba6Pr2Mg(Ru2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.030
_cell_length_b   6.030
_cell_length_c   15.521
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   488.761
_cell_formula_units_Z   1
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  0.667  0.615  1.0
  Ba  Ba1  1  0.000  0.000  0.250  1.0
  Ba  Ba2  1  0.667  0.333  0.452  1.0
  Ba  Ba3  1  0.667  0.333  0.048  1.0
  Ba  Ba4  1  0.333  0.667  0.885  1.0
  Ba  Ba5  1  0.000  0.000  0.750  1.0
  Pr  Pr6  1  0.000  0.000  0.502  1.0
  Pr  Pr7  1  0.000  0.000  0.998  1.0
  Mg  Mg8  1  0.667  0.333  0.250  1.0
  Ru  Ru9  1  0.333  0.667  0.340  1.0
  Ru  Ru10  1  0.667  0.333  0.831  1.0
  Ru  Ru11  1  0.667  0.333  0.669  1.0
  Ru  Ru12  1  0.333  0.667  0.160  1.0
  O  O13  1  0.178  0.822  0.091  1.0
  O  O14  1  0.178  0.356  0.091  1.0
  O  O15  1  0.644  0.822  0.091  1.0
  O  O16  1  0.357  0.179  0.592  1.0
  O  O17  1  0.821  0.643  0.908  1.0
  O  O18  1  0.821  0.179  0.592  1.0
  O  O19  1  0.821  0.643  0.592  1.0
  O  O20  1  0.178  0.822  0.409  1.0
  O  O21  1  0.644  0.822  0.409  1.0
  O  O22  1  0.357  0.179  0.908  1.0
  O  O23  1  0.821  0.179  0.908  1.0
  O  O24  1  0.178  0.356  0.409  1.0
  O  O25  1  0.487  0.974  0.250  1.0
  O  O26  1  0.510  0.490  0.750  1.0
  O  O27  1  0.979  0.490  0.750  1.0
  O  O28  1  0.026  0.513  0.250  1.0
  O  O29  1  0.487  0.513  0.250  1.0
  O  O30  1  0.510  0.021  0.750  1.0
[/CIF]
.