The material described by Pt3TlO4 crystallizes in the cubic Fm-3m space group. Pt(1) is bonded in a square co-planar geometry to two equivalent Tl(1) and four equivalent O(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to twelve equivalent Pt(1) atoms to form TlPt12 cuboctahedra that share corners with twelve equivalent Tl(1)Pt12 cuboctahedra and edges with twenty-four equivalent O(1)TlPt3 tetrahedra. In the second Tl site, Tl(2) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to three equivalent Pt(1) and one Tl(2) atom to form OTlPt3 tetrahedra that share corners with ten equivalent O(1)TlPt3 tetrahedra, edges with three equivalent Tl(1)Pt12 cuboctahedra, and edges with three equivalent O(1)TlPt3 tetrahedra. is represented by the CIF file [CIF]
data_TlPt3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   6.861
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   228.342
_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
  Tl  Tl0  1  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Pt  Pt2  1  0.500  0.000  0.000  1.0
  Pt  Pt3  1  0.000  0.500  0.500  1.0
  Pt  Pt4  1  0.000  0.500  0.000  1.0
  Pt  Pt5  1  0.500  0.000  0.500  1.0
  Pt  Pt6  1  0.000  0.000  0.500  1.0
  Pt  Pt7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.143  0.143  0.143  1.0
  O  O9  1  0.857  0.857  0.857  1.0
  O  O10  1  0.143  0.143  0.572  1.0
  O  O11  1  0.143  0.572  0.143  1.0
  O  O12  1  0.857  0.857  0.428  1.0
  O  O13  1  0.857  0.428  0.857  1.0
  O  O14  1  0.572  0.143  0.143  1.0
  O  O15  1  0.428  0.857  0.857  1.0
[/CIF]
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The material described by Pt3TlO4 crystallizes in the cubic Fm-3m space group. Pt(1) is bonded in a square co-planar geometry to two equivalent Tl(1) and four equivalent O(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to twelve equivalent Pt(1) atoms to form TlPt12 cuboctahedra that share corners with twelve equivalent Tl(1)Pt12 cuboctahedra and edges with twenty-four equivalent O(1)TlPt3 tetrahedra. In the second Tl site, Tl(2) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. O(1) is bonded to three equivalent Pt(1) and one Tl(2) atom to form OTlPt3 tetrahedra that share corners with ten equivalent O(1)TlPt3 tetrahedra, edges with three equivalent Tl(1)Pt12 cuboctahedra, and edges with three equivalent O(1)TlPt3 tetrahedra. is represented by the CIF file [CIF]
data_TlPt3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.861
_cell_length_b   6.861
_cell_length_c   6.861
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   228.342
_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
  Tl  Tl0  1  0.500  0.500  0.500  1.0
  Tl  Tl1  1  0.000  0.000  0.000  1.0
  Pt  Pt2  1  0.500  0.000  0.000  1.0
  Pt  Pt3  1  0.000  0.500  0.500  1.0
  Pt  Pt4  1  0.000  0.500  0.000  1.0
  Pt  Pt5  1  0.500  0.000  0.500  1.0
  Pt  Pt6  1  0.000  0.000  0.500  1.0
  Pt  Pt7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.143  0.143  0.143  1.0
  O  O9  1  0.857  0.857  0.857  1.0
  O  O10  1  0.143  0.143  0.572  1.0
  O  O11  1  0.143  0.572  0.143  1.0
  O  O12  1  0.857  0.857  0.428  1.0
  O  O13  1  0.857  0.428  0.857  1.0
  O  O14  1  0.572  0.143  0.143  1.0
  O  O15  1  0.428  0.857  0.857  1.0
[/CIF]
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