The structure described by NiPt3O6 crystallizes in the orthorhombic Cmmm space group. 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(2) atoms. In the second Pt site, Pt(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 60°. Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pt(2) and two equivalent Ni(1) atoms to form ONi2Pt2 tetrahedra that share corners with six equivalent O(1)Ni2Pt2 tetrahedra, corners with eight equivalent O(2)NiPt3 tetrahedra,  an edgeedge with one O(1)Ni2Pt2 tetrahedra, and edges with four equivalent O(2)NiPt3 tetrahedra. In the second O site, O(2) is bonded to one Pt(1), two equivalent Pt(2), and one Ni(1) atom to form distorted ONiPt3 tetrahedra that share corners with four equivalent O(1)Ni2Pt2 tetrahedra, corners with eight equivalent O(2)NiPt3 tetrahedra, edges with two equivalent O(1)Ni2Pt2 tetrahedra, and edges with two equivalent O(2)NiPt3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni(PtO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.163
_cell_length_b   6.105
_cell_length_c   6.105
_cell_angle_alpha   71.689
_cell_angle_beta   89.991
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   111.936
_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
  Ni  Ni0  1  0.000  0.000  1.000  1.0
  O  O1  1  0.500  0.855  0.855  1.0
  O  O2  1  0.500  0.145  0.145  1.0
  O  O3  1  0.000  0.838  0.416  1.0
  O  O4  1  1.000  0.162  0.584  1.0
  O  O5  1  0.000  0.416  0.838  1.0
  O  O6  1  1.000  0.584  0.162  1.0
  Pt  Pt7  1  0.000  0.500  0.500  1.0
  Pt  Pt8  1  0.500  1.000  0.500  1.0
  Pt  Pt9  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by NiPt3O6 crystallizes in the orthorhombic Cmmm space group. 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(2) atoms. In the second Pt site, Pt(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 60°. Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pt(2) and two equivalent Ni(1) atoms to form ONi2Pt2 tetrahedra that share corners with six equivalent O(1)Ni2Pt2 tetrahedra, corners with eight equivalent O(2)NiPt3 tetrahedra,  an edgeedge with one O(1)Ni2Pt2 tetrahedra, and edges with four equivalent O(2)NiPt3 tetrahedra. In the second O site, O(2) is bonded to one Pt(1), two equivalent Pt(2), and one Ni(1) atom to form distorted ONiPt3 tetrahedra that share corners with four equivalent O(1)Ni2Pt2 tetrahedra, corners with eight equivalent O(2)NiPt3 tetrahedra, edges with two equivalent O(1)Ni2Pt2 tetrahedra, and edges with two equivalent O(2)NiPt3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ni(PtO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.163
_cell_length_b   6.105
_cell_length_c   6.105
_cell_angle_alpha   71.689
_cell_angle_beta   89.991
_cell_angle_gamma   89.995
_symmetry_Int_Tables_number   1
_cell_volume   111.936
_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
  Ni  Ni0  1  0.000  0.000  1.000  1.0
  O  O1  1  0.500  0.855  0.855  1.0
  O  O2  1  0.500  0.145  0.145  1.0
  O  O3  1  0.000  0.838  0.416  1.0
  O  O4  1  1.000  0.162  0.584  1.0
  O  O5  1  0.000  0.416  0.838  1.0
  O  O6  1  1.000  0.584  0.162  1.0
  Pt  Pt7  1  0.000  0.500  0.500  1.0
  Pt  Pt8  1  0.500  1.000  0.500  1.0
  Pt  Pt9  1  0.500  0.500  0.000  1.0
[/CIF]
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