The material structure described by Ba8Sc3(Pt2O9)2 is (La,Ba)CuO4-derived structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ScO6 octahedra that share corners with two equivalent Pt(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Pt site, Pt(2) is bonded to six equivalent O(2) atoms to form PtO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Sc(1), and one Pt(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa4ScPt octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Sc(1), and one Pt(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa4ScPt octahedra. The corner-sharing octahedral tilt angles range from 0-55°. is represented by the CIF card [CIF]
data_Ba8Sc3(Pt2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.277
_cell_length_b   8.277
_cell_length_c   8.277
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.084
_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  0.239  0.239  0.239  1.0
  Ba  Ba1  1  0.761  0.761  0.761  1.0
  Ba  Ba2  1  0.761  0.761  0.239  1.0
  Ba  Ba3  1  0.761  0.239  0.761  1.0
  Ba  Ba4  1  0.239  0.239  0.761  1.0
  Ba  Ba5  1  0.239  0.761  0.239  1.0
  Ba  Ba6  1  0.239  0.761  0.761  1.0
  Ba  Ba7  1  0.761  0.239  0.239  1.0
  Sc  Sc8  1  0.500  0.000  0.000  1.0
  Sc  Sc9  1  0.000  0.500  0.000  1.0
  Sc  Sc10  1  0.000  0.000  0.500  1.0
  Pt  Pt11  1  0.000  0.500  0.500  1.0
  Pt  Pt12  1  0.500  0.000  0.500  1.0
  Pt  Pt13  1  0.500  0.500  0.000  1.0
  Pt  Pt14  1  0.000  0.000  0.000  1.0
  O  O15  1  0.255  0.500  0.000  1.0
  O  O16  1  0.745  0.500  0.000  1.0
  O  O17  1  0.000  0.255  0.500  1.0
  O  O18  1  0.500  0.255  0.000  1.0
  O  O19  1  0.000  0.745  0.500  1.0
  O  O20  1  0.500  0.745  0.000  1.0
  O  O21  1  0.500  0.000  0.255  1.0
  O  O22  1  0.255  0.000  0.500  1.0
  O  O23  1  0.500  0.000  0.745  1.0
  O  O24  1  0.745  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.255  1.0
  O  O26  1  0.000  0.500  0.745  1.0
  O  O27  1  0.245  0.000  0.000  1.0
  O  O28  1  0.755  0.000  0.000  1.0
  O  O29  1  0.000  0.245  0.000  1.0
  O  O30  1  0.000  0.755  0.000  1.0
  O  O31  1  0.000  0.000  0.245  1.0
  O  O32  1  0.000  0.000  0.755  1.0
[/CIF]
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The material structure described by Ba8Sc3(Pt2O9)2 is (La,Ba)CuO4-derived structured and crystallizes in the cubic Pm-3m space group. Ba(1) is bonded in a distorted q6 geometry to three equivalent O(2) and six equivalent O(1) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ScO6 octahedra that share corners with two equivalent Pt(2)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Pt site, Pt(2) is bonded to six equivalent O(2) atoms to form PtO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Sc(1), and one Pt(1) atom to form a mixture of distorted corner, edge, and face-sharing OBa4ScPt octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded to four equivalent Ba(1), one Sc(1), and one Pt(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa4ScPt octahedra. The corner-sharing octahedral tilt angles range from 0-55°. is represented by the CIF card [CIF]
data_Ba8Sc3(Pt2O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.277
_cell_length_b   8.277
_cell_length_c   8.277
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   567.084
_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  0.239  0.239  0.239  1.0
  Ba  Ba1  1  0.761  0.761  0.761  1.0
  Ba  Ba2  1  0.761  0.761  0.239  1.0
  Ba  Ba3  1  0.761  0.239  0.761  1.0
  Ba  Ba4  1  0.239  0.239  0.761  1.0
  Ba  Ba5  1  0.239  0.761  0.239  1.0
  Ba  Ba6  1  0.239  0.761  0.761  1.0
  Ba  Ba7  1  0.761  0.239  0.239  1.0
  Sc  Sc8  1  0.500  0.000  0.000  1.0
  Sc  Sc9  1  0.000  0.500  0.000  1.0
  Sc  Sc10  1  0.000  0.000  0.500  1.0
  Pt  Pt11  1  0.000  0.500  0.500  1.0
  Pt  Pt12  1  0.500  0.000  0.500  1.0
  Pt  Pt13  1  0.500  0.500  0.000  1.0
  Pt  Pt14  1  0.000  0.000  0.000  1.0
  O  O15  1  0.255  0.500  0.000  1.0
  O  O16  1  0.745  0.500  0.000  1.0
  O  O17  1  0.000  0.255  0.500  1.0
  O  O18  1  0.500  0.255  0.000  1.0
  O  O19  1  0.000  0.745  0.500  1.0
  O  O20  1  0.500  0.745  0.000  1.0
  O  O21  1  0.500  0.000  0.255  1.0
  O  O22  1  0.255  0.000  0.500  1.0
  O  O23  1  0.500  0.000  0.745  1.0
  O  O24  1  0.745  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.255  1.0
  O  O26  1  0.000  0.500  0.745  1.0
  O  O27  1  0.245  0.000  0.000  1.0
  O  O28  1  0.755  0.000  0.000  1.0
  O  O29  1  0.000  0.245  0.000  1.0
  O  O30  1  0.000  0.755  0.000  1.0
  O  O31  1  0.000  0.000  0.245  1.0
  O  O32  1  0.000  0.000  0.755  1.0
[/CIF]
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