The material described by CoPt3O6 crystallizes in the orthorhombic Cmmm space group. Co(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. 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 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(1) and two equivalent Pt(2) atoms to form OCo2Pt2 tetrahedra that share corners with six equivalent O(1)Co2Pt2 tetrahedra, corners with eight equivalent O(2)CoPt3 tetrahedra,  an edgeedge with one O(1)Co2Pt2 tetrahedra, and edges with four equivalent O(2)CoPt3 tetrahedra. In the second O site, O(2) is bonded to one Co(1), one Pt(1), and two equivalent Pt(2) atoms to form OCoPt3 tetrahedra that share corners with four equivalent O(1)Co2Pt2 tetrahedra, corners with eight equivalent O(2)CoPt3 tetrahedra, edges with two equivalent O(1)Co2Pt2 tetrahedra, and edges with two equivalent O(2)CoPt3 tetrahedra. is represented by the CIF file [CIF]
data_Co(PtO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.195
_cell_length_b   6.091
_cell_length_c   6.091
_cell_angle_alpha   70.797
_cell_angle_beta   89.992
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   111.951
_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
  Co  Co0  1  1.000  0.500  0.500  1.0
  O  O1  1  0.500  0.354  0.354  1.0
  O  O2  1  0.500  0.646  0.646  1.0
  O  O3  1  1.000  0.658  0.088  1.0
  O  O4  1  0.000  0.342  0.912  1.0
  O  O5  1  0.000  0.912  0.342  1.0
  O  O6  1  1.000  0.088  0.658  1.0
  Pt  Pt7  1  1.000  1.000  1.000  1.0
  Pt  Pt8  1  0.500  0.500  0.000  1.0
  Pt  Pt9  1  0.500  1.000  0.500  1.0
[/CIF]
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The material described by CoPt3O6 crystallizes in the orthorhombic Cmmm space group. Co(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. 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 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(1) and two equivalent Pt(2) atoms to form OCo2Pt2 tetrahedra that share corners with six equivalent O(1)Co2Pt2 tetrahedra, corners with eight equivalent O(2)CoPt3 tetrahedra,  an edgeedge with one O(1)Co2Pt2 tetrahedra, and edges with four equivalent O(2)CoPt3 tetrahedra. In the second O site, O(2) is bonded to one Co(1), one Pt(1), and two equivalent Pt(2) atoms to form OCoPt3 tetrahedra that share corners with four equivalent O(1)Co2Pt2 tetrahedra, corners with eight equivalent O(2)CoPt3 tetrahedra, edges with two equivalent O(1)Co2Pt2 tetrahedra, and edges with two equivalent O(2)CoPt3 tetrahedra. is represented by the CIF file [CIF]
data_Co(PtO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.195
_cell_length_b   6.091
_cell_length_c   6.091
_cell_angle_alpha   70.797
_cell_angle_beta   89.992
_cell_angle_gamma   89.992
_symmetry_Int_Tables_number   1
_cell_volume   111.951
_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
  Co  Co0  1  1.000  0.500  0.500  1.0
  O  O1  1  0.500  0.354  0.354  1.0
  O  O2  1  0.500  0.646  0.646  1.0
  O  O3  1  1.000  0.658  0.088  1.0
  O  O4  1  0.000  0.342  0.912  1.0
  O  O5  1  0.000  0.912  0.342  1.0
  O  O6  1  1.000  0.088  0.658  1.0
  Pt  Pt7  1  1.000  1.000  1.000  1.0
  Pt  Pt8  1  0.500  0.500  0.000  1.0
  Pt  Pt9  1  0.500  1.000  0.500  1.0
[/CIF]
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