The material described by PtIn6Ge2O9 is Ilmenite-derived structured and crystallizes in the cubic Fm-3m space group. Pt(1) is bonded to six equivalent In(1) atoms to form PtIn6 octahedra that share corners with six equivalent O(1)In6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded in a 6-coordinate geometry to one Pt(1), one O(1), and four equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent In(1) atoms to form OIn6 octahedra that share corners with six equivalent Pt(1)In6 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent In(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_In6Ge2PtO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.241
_cell_length_b   7.241
_cell_length_c   7.241
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   268.500
_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
  In  In0  1  0.261  0.261  0.739  1.0
  In  In1  1  0.739  0.261  0.739  1.0
  In  In2  1  0.261  0.739  0.261  1.0
  In  In3  1  0.739  0.739  0.261  1.0
  In  In4  1  0.261  0.739  0.739  1.0
  In  In5  1  0.739  0.261  0.261  1.0
  Ge  Ge6  1  0.250  0.250  0.250  1.0
  Ge  Ge7  1  0.750  0.750  0.750  1.0
  Pt  Pt8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.650  0.051  0.650  1.0
  O  O11  1  0.350  0.350  0.350  1.0
  O  O12  1  0.949  0.350  0.350  1.0
  O  O13  1  0.350  0.350  0.949  1.0
  O  O14  1  0.350  0.949  0.350  1.0
  O  O15  1  0.650  0.650  0.051  1.0
  O  O16  1  0.650  0.650  0.650  1.0
  O  O17  1  0.051  0.650  0.650  1.0
[/CIF]
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The material described by PtIn6Ge2O9 is Ilmenite-derived structured and crystallizes in the cubic Fm-3m space group. Pt(1) is bonded to six equivalent In(1) atoms to form PtIn6 octahedra that share corners with six equivalent O(1)In6 octahedra. The corner-sharing octahedra are not tilted. In(1) is bonded in a 6-coordinate geometry to one Pt(1), one O(1), and four equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent In(1) atoms to form OIn6 octahedra that share corners with six equivalent Pt(1)In6 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 4-coordinate geometry to three equivalent In(1) and one Ge(1) atom. is represented by the CIF file [CIF]
data_In6Ge2PtO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.241
_cell_length_b   7.241
_cell_length_c   7.241
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   268.500
_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
  In  In0  1  0.261  0.261  0.739  1.0
  In  In1  1  0.739  0.261  0.739  1.0
  In  In2  1  0.261  0.739  0.261  1.0
  In  In3  1  0.739  0.739  0.261  1.0
  In  In4  1  0.261  0.739  0.739  1.0
  In  In5  1  0.739  0.261  0.261  1.0
  Ge  Ge6  1  0.250  0.250  0.250  1.0
  Ge  Ge7  1  0.750  0.750  0.750  1.0
  Pt  Pt8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.500  0.500  0.500  1.0
  O  O10  1  0.650  0.051  0.650  1.0
  O  O11  1  0.350  0.350  0.350  1.0
  O  O12  1  0.949  0.350  0.350  1.0
  O  O13  1  0.350  0.350  0.949  1.0
  O  O14  1  0.350  0.949  0.350  1.0
  O  O15  1  0.650  0.650  0.051  1.0
  O  O16  1  0.650  0.650  0.650  1.0
  O  O17  1  0.051  0.650  0.650  1.0
[/CIF]
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