The material described by Ba6Ru2Pt(O6Cl)2 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one Cl(1) atom. In the second Ba site, Ba(2) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Pt(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent Cl(1) atoms. 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(2)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Pt(1)O6 octahedra. Pt(1) is bonded to six equivalent O(1) atoms to form PtO6 octahedra that share faces with six equivalent Ba(2)O12 cuboctahedra and faces with two equivalent Ru(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), three equivalent Ba(2), one Ru(1), and one Pt(1) atom to form distorted OBa4RuPt octahedra that share corners with eleven equivalent O(1)Ba4RuPt octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(1)Ba4RuPt octahedra, and faces with six equivalent O(1)Ba4RuPt octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Ru(1) atom. Cl(1) is bonded to one Ba(1) and four equivalent Ba(3) atoms to form distorted ClBa5 trigonal bipyramids that share corners with three equivalent O(1)Ba4RuPt octahedra, corners with six equivalent Cl(1)Ba5 trigonal bipyramids, and edges with three equivalent Cl(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 44°. is represented by the CIF file [CIF]
data_Ba6Ru2Pt(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.907
_cell_length_c   15.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   461.819
_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  0.667  0.333  0.214  1.0
  Ba  Ba1  1  0.333  0.667  0.081  1.0
  Ba  Ba2  1  0.667  0.333  0.634  1.0
  Ba  Ba3  1  0.667  0.333  0.919  1.0
  Ba  Ba4  1  0.333  0.667  0.366  1.0
  Ba  Ba5  1  0.333  0.667  0.786  1.0
  Ru  Ru6  1  0.000  0.000  0.817  1.0
  Ru  Ru7  1  0.000  0.000  0.183  1.0
  Pt  Pt8  1  0.000  0.000  0.000  1.0
  Cl  Cl9  1  0.667  0.333  0.422  1.0
  Cl  Cl10  1  0.333  0.667  0.578  1.0
  O  O11  1  0.303  0.152  0.087  1.0
  O  O12  1  0.697  0.848  0.913  1.0
  O  O13  1  0.161  0.839  0.244  1.0
  O  O14  1  0.678  0.839  0.244  1.0
  O  O15  1  0.839  0.678  0.756  1.0
  O  O16  1  0.322  0.161  0.756  1.0
  O  O17  1  0.161  0.322  0.244  1.0
  O  O18  1  0.848  0.697  0.087  1.0
  O  O19  1  0.152  0.303  0.913  1.0
  O  O20  1  0.839  0.161  0.756  1.0
  O  O21  1  0.848  0.152  0.087  1.0
  O  O22  1  0.152  0.848  0.913  1.0
[/CIF]
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The material described by Ba6Ru2Pt(O6Cl)2 crystallizes in the trigonal P-3m1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to three equivalent O(1), six equivalent O(2), and one Cl(1) atom. In the second Ba site, Ba(2) is bonded to three equivalent O(2) and nine equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(2)O12 cuboctahedra, corners with three equivalent Ru(1)O6 octahedra, faces with three equivalent Ba(2)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with three equivalent Pt(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent Cl(1) atoms. 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(2)O12 cuboctahedra, faces with three equivalent Ba(2)O12 cuboctahedra, and  a faceface with one Pt(1)O6 octahedra. Pt(1) is bonded to six equivalent O(1) atoms to form PtO6 octahedra that share faces with six equivalent Ba(2)O12 cuboctahedra and faces with two equivalent Ru(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), three equivalent Ba(2), one Ru(1), and one Pt(1) atom to form distorted OBa4RuPt octahedra that share corners with eleven equivalent O(1)Ba4RuPt octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(1)Ba4RuPt octahedra, and faces with six equivalent O(1)Ba4RuPt octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), and one Ru(1) atom. Cl(1) is bonded to one Ba(1) and four equivalent Ba(3) atoms to form distorted ClBa5 trigonal bipyramids that share corners with three equivalent O(1)Ba4RuPt octahedra, corners with six equivalent Cl(1)Ba5 trigonal bipyramids, and edges with three equivalent Cl(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 44°. is represented by the CIF file [CIF]
data_Ba6Ru2Pt(ClO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.907
_cell_length_c   15.281
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   461.819
_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  0.667  0.333  0.214  1.0
  Ba  Ba1  1  0.333  0.667  0.081  1.0
  Ba  Ba2  1  0.667  0.333  0.634  1.0
  Ba  Ba3  1  0.667  0.333  0.919  1.0
  Ba  Ba4  1  0.333  0.667  0.366  1.0
  Ba  Ba5  1  0.333  0.667  0.786  1.0
  Ru  Ru6  1  0.000  0.000  0.817  1.0
  Ru  Ru7  1  0.000  0.000  0.183  1.0
  Pt  Pt8  1  0.000  0.000  0.000  1.0
  Cl  Cl9  1  0.667  0.333  0.422  1.0
  Cl  Cl10  1  0.333  0.667  0.578  1.0
  O  O11  1  0.303  0.152  0.087  1.0
  O  O12  1  0.697  0.848  0.913  1.0
  O  O13  1  0.161  0.839  0.244  1.0
  O  O14  1  0.678  0.839  0.244  1.0
  O  O15  1  0.839  0.678  0.756  1.0
  O  O16  1  0.322  0.161  0.756  1.0
  O  O17  1  0.161  0.322  0.244  1.0
  O  O18  1  0.848  0.697  0.087  1.0
  O  O19  1  0.152  0.303  0.913  1.0
  O  O20  1  0.839  0.161  0.756  1.0
  O  O21  1  0.848  0.152  0.087  1.0
  O  O22  1  0.152  0.848  0.913  1.0
[/CIF]
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