The material described by NiPt3O6 is Hausmannite-derived structured and crystallizes in the orthorhombic Pbam space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Pt site, Pt(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of 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 two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are three 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 four equivalent O(2)NiPt3 tetrahedra, corners with four equivalent O(3)NiPt3 tetrahedra, corners with six equivalent O(1)Ni2Pt2 tetrahedra,  an edgeedge with one O(1)Ni2Pt2 tetrahedra, edges with two equivalent O(2)NiPt3 tetrahedra, and edges with two equivalent O(3)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 four equivalent O(2)NiPt3 tetrahedra, corners with four equivalent O(3)NiPt3 tetrahedra, edges with two equivalent O(1)Ni2Pt2 tetrahedra, and edges with two equivalent O(3)NiPt3 tetrahedra. In the third O site, O(3) is bonded to one Pt(1), two equivalent Pt(2), and one Ni(1) atom to form ONiPt3 tetrahedra that share corners with four equivalent O(1)Ni2Pt2 tetrahedra, corners with four equivalent O(2)NiPt3 tetrahedra, corners with four equivalent O(3)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   3.204
_cell_length_b   6.154
_cell_length_c   6.154
_cell_angle_alpha   108.422
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.112
_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  0.000  1.0
  O  O1  1  0.500  0.854  0.146  1.0
  O  O2  1  0.500  0.146  0.854  1.0
  O  O3  1  0.000  0.416  0.162  1.0
  O  O4  1  0.000  0.584  0.838  1.0
  O  O5  1  0.000  0.838  0.584  1.0
  O  O6  1  0.000  0.162  0.416  1.0
  Pt  Pt7  1  0.000  0.500  0.500  1.0
  Pt  Pt8  1  0.500  0.500  1.000  1.0
  Pt  Pt9  1  0.500  1.000  0.500  1.0
[/CIF]
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The material described by NiPt3O6 is Hausmannite-derived structured and crystallizes in the orthorhombic Pbam space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Pt site, Pt(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form a mixture of 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 two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. There are three 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 four equivalent O(2)NiPt3 tetrahedra, corners with four equivalent O(3)NiPt3 tetrahedra, corners with six equivalent O(1)Ni2Pt2 tetrahedra,  an edgeedge with one O(1)Ni2Pt2 tetrahedra, edges with two equivalent O(2)NiPt3 tetrahedra, and edges with two equivalent O(3)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 four equivalent O(2)NiPt3 tetrahedra, corners with four equivalent O(3)NiPt3 tetrahedra, edges with two equivalent O(1)Ni2Pt2 tetrahedra, and edges with two equivalent O(3)NiPt3 tetrahedra. In the third O site, O(3) is bonded to one Pt(1), two equivalent Pt(2), and one Ni(1) atom to form ONiPt3 tetrahedra that share corners with four equivalent O(1)Ni2Pt2 tetrahedra, corners with four equivalent O(2)NiPt3 tetrahedra, corners with four equivalent O(3)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   3.204
_cell_length_b   6.154
_cell_length_c   6.154
_cell_angle_alpha   108.422
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.112
_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  0.000  1.0
  O  O1  1  0.500  0.854  0.146  1.0
  O  O2  1  0.500  0.146  0.854  1.0
  O  O3  1  0.000  0.416  0.162  1.0
  O  O4  1  0.000  0.584  0.838  1.0
  O  O5  1  0.000  0.838  0.584  1.0
  O  O6  1  0.000  0.162  0.416  1.0
  Pt  Pt7  1  0.000  0.500  0.500  1.0
  Pt  Pt8  1  0.500  0.500  1.000  1.0
  Pt  Pt9  1  0.500  1.000  0.500  1.0
[/CIF]
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