The structure described by PtCoO2 crystallizes in the monoclinic C2 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second Pt site, Pt(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Pt(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Pt(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), one Co(3), one Co(4), and one Pt(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), one Co(4), and one Pt(2) atom. is represented by the CIF card [CIF]
data_CoPtO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.913
_cell_length_b   2.913
_cell_length_c   6.364
_cell_angle_alpha   90.803
_cell_angle_beta   102.874
_cell_angle_gamma   118.854
_symmetry_Int_Tables_number   1
_cell_volume   45.643
_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  0.999  0.499  0.500  1.0
  O  O1  1  0.788  0.889  0.677  1.0
  O  O2  1  0.212  0.111  0.323  1.0
  Pt  Pt3  1  0.000  0.000  1.000  1.0
[/CIF]
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The structure described by PtCoO2 crystallizes in the monoclinic C2 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second Pt site, Pt(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Pt(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Pt(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), one Co(3), one Co(4), and one Pt(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), one Co(4), and one Pt(2) atom. is represented by the CIF card [CIF]
data_CoPtO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.913
_cell_length_b   2.913
_cell_length_c   6.364
_cell_angle_alpha   90.803
_cell_angle_beta   102.874
_cell_angle_gamma   118.854
_symmetry_Int_Tables_number   1
_cell_volume   45.643
_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  0.999  0.499  0.500  1.0
  O  O1  1  0.788  0.889  0.677  1.0
  O  O2  1  0.212  0.111  0.323  1.0
  Pt  Pt3  1  0.000  0.000  1.000  1.0
[/CIF]
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