The structure described by LiPtO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Pt(2)O6 octahedra, corners with four equivalent Pt(1)O6 octahedra, edges with two equivalent Pt(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent Pt(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Pt(2)O6 octahedra, corners with four equivalent Pt(1)O6 octahedra, edges with two equivalent Pt(2)O6 octahedra, edges with four equivalent Pt(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form PtO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Pt(1)O6 octahedra, edges with three equivalent Pt(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Pt site, Pt(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted PtO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Pt(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Pt(2), and two equivalent Pt(1) atoms to form a mixture of edge and corner-sharing OLi3Pt3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Pt(2), and two equivalent Pt(1) atoms to form a mixture of edge and corner-sharing OLi3Pt3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF file [CIF]
data_LiPtO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.594
_cell_length_c   5.148
_cell_angle_alpha   78.583
_cell_angle_beta   78.583
_cell_angle_gamma   118.703
_symmetry_Int_Tables_number   1
_cell_volume   130.198
_cell_formula_units_Z   3
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
  Li  Li0  1  0.671  0.329  0.500  1.0
  Li  Li1  1  0.329  0.671  0.500  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Pt  Pt3  1  0.836  0.164  0.000  1.0
  Pt  Pt4  1  0.164  0.836  0.000  1.0
  Pt  Pt5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.432  0.071  0.229  1.0
  O  O7  1  0.568  0.929  0.771  1.0
  O  O8  1  0.929  0.568  0.771  1.0
  O  O9  1  0.071  0.432  0.229  1.0
  O  O10  1  0.776  0.776  0.235  1.0
  O  O11  1  0.224  0.224  0.765  1.0
[/CIF]
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The structure described by LiPtO2 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Pt(2)O6 octahedra, corners with four equivalent Pt(1)O6 octahedra, edges with two equivalent Pt(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with four equivalent Pt(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Pt(2)O6 octahedra, corners with four equivalent Pt(1)O6 octahedra, edges with two equivalent Pt(2)O6 octahedra, edges with four equivalent Pt(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form PtO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Pt(1)O6 octahedra, edges with three equivalent Pt(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Pt site, Pt(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted PtO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Pt(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one Pt(2), and two equivalent Pt(1) atoms to form a mixture of edge and corner-sharing OLi3Pt3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Pt(2), and two equivalent Pt(1) atoms to form a mixture of edge and corner-sharing OLi3Pt3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF file [CIF]
data_LiPtO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.594
_cell_length_c   5.148
_cell_angle_alpha   78.583
_cell_angle_beta   78.583
_cell_angle_gamma   118.703
_symmetry_Int_Tables_number   1
_cell_volume   130.198
_cell_formula_units_Z   3
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
  Li  Li0  1  0.671  0.329  0.500  1.0
  Li  Li1  1  0.329  0.671  0.500  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Pt  Pt3  1  0.836  0.164  0.000  1.0
  Pt  Pt4  1  0.164  0.836  0.000  1.0
  Pt  Pt5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.432  0.071  0.229  1.0
  O  O7  1  0.568  0.929  0.771  1.0
  O  O8  1  0.929  0.568  0.771  1.0
  O  O9  1  0.071  0.432  0.229  1.0
  O  O10  1  0.776  0.776  0.235  1.0
  O  O11  1  0.224  0.224  0.765  1.0
[/CIF]
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