The material described by Ba4PtO6 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Pt(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to one Ba(1), four equivalent Ba(2), and one Pt(1) atom to form a mixture of edge, face, and corner-sharing OBa5Pt octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_Ba4PtO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   7.320
_cell_length_c   7.320
_cell_angle_alpha   89.434
_cell_angle_beta   89.434
_cell_angle_gamma   89.434
_symmetry_Int_Tables_number   1
_cell_volume   392.123
_cell_formula_units_Z   2
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  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Ba  Ba2  1  0.750  0.119  0.381  1.0
  Ba  Ba3  1  0.381  0.750  0.119  1.0
  Ba  Ba4  1  0.119  0.381  0.750  1.0
  Ba  Ba5  1  0.250  0.881  0.619  1.0
  Ba  Ba6  1  0.619  0.250  0.881  1.0
  Ba  Ba7  1  0.881  0.619  0.250  1.0
  Pt  Pt8  1  0.000  0.000  0.000  1.0
  Pt  Pt9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.573  0.771  0.439  1.0
  O  O11  1  0.439  0.573  0.771  1.0
  O  O12  1  0.771  0.439  0.573  1.0
  O  O13  1  0.927  0.061  0.729  1.0
  O  O14  1  0.729  0.927  0.061  1.0
  O  O15  1  0.061  0.729  0.927  1.0
  O  O16  1  0.427  0.229  0.561  1.0
  O  O17  1  0.561  0.427  0.229  1.0
  O  O18  1  0.229  0.561  0.427  1.0
  O  O19  1  0.073  0.939  0.271  1.0
  O  O20  1  0.939  0.271  0.073  1.0
  O  O21  1  0.271  0.073  0.939  1.0
[/CIF]
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The material described by Ba4PtO6 crystallizes in the trigonal R-3c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Pt(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to one Ba(1), four equivalent Ba(2), and one Pt(1) atom to form a mixture of edge, face, and corner-sharing OBa5Pt octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_Ba4PtO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.320
_cell_length_b   7.320
_cell_length_c   7.320
_cell_angle_alpha   89.434
_cell_angle_beta   89.434
_cell_angle_gamma   89.434
_symmetry_Int_Tables_number   1
_cell_volume   392.123
_cell_formula_units_Z   2
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  0.250  0.250  0.250  1.0
  Ba  Ba1  1  0.750  0.750  0.750  1.0
  Ba  Ba2  1  0.750  0.119  0.381  1.0
  Ba  Ba3  1  0.381  0.750  0.119  1.0
  Ba  Ba4  1  0.119  0.381  0.750  1.0
  Ba  Ba5  1  0.250  0.881  0.619  1.0
  Ba  Ba6  1  0.619  0.250  0.881  1.0
  Ba  Ba7  1  0.881  0.619  0.250  1.0
  Pt  Pt8  1  0.000  0.000  0.000  1.0
  Pt  Pt9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.573  0.771  0.439  1.0
  O  O11  1  0.439  0.573  0.771  1.0
  O  O12  1  0.771  0.439  0.573  1.0
  O  O13  1  0.927  0.061  0.729  1.0
  O  O14  1  0.729  0.927  0.061  1.0
  O  O15  1  0.061  0.729  0.927  1.0
  O  O16  1  0.427  0.229  0.561  1.0
  O  O17  1  0.561  0.427  0.229  1.0
  O  O18  1  0.229  0.561  0.427  1.0
  O  O19  1  0.073  0.939  0.271  1.0
  O  O20  1  0.939  0.271  0.073  1.0
  O  O21  1  0.271  0.073  0.939  1.0
[/CIF]
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