The crystal structure described by Li(MoO2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with twelve equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Mo(1)O6 octahedra. O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.953
_cell_length_b   5.953
_cell_length_c   5.953
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   149.187
_cell_formula_units_Z   2
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  0.125  0.125  0.125  1.0
  Li  Li1  1  0.875  0.875  0.875  1.0
  Mo  Mo2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.500  0.000  0.500  1.0
  Mo  Mo4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.749  0.749  0.253  1.0
  O  O7  1  0.749  0.749  0.749  1.0
  O  O8  1  0.251  0.251  0.747  1.0
  O  O9  1  0.251  0.747  0.251  1.0
  O  O10  1  0.251  0.251  0.251  1.0
  O  O11  1  0.747  0.251  0.251  1.0
  O  O12  1  0.749  0.253  0.749  1.0
  O  O13  1  0.253  0.749  0.749  1.0
[/CIF]
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The crystal structure described by Li(MoO2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with twelve equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. Mo(1) is bonded to six equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Mo(1)O6 octahedra. O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.953
_cell_length_b   5.953
_cell_length_c   5.953
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   149.187
_cell_formula_units_Z   2
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  0.125  0.125  0.125  1.0
  Li  Li1  1  0.875  0.875  0.875  1.0
  Mo  Mo2  1  0.500  0.500  0.500  1.0
  Mo  Mo3  1  0.500  0.000  0.500  1.0
  Mo  Mo4  1  0.000  0.500  0.500  1.0
  Mo  Mo5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.749  0.749  0.253  1.0
  O  O7  1  0.749  0.749  0.749  1.0
  O  O8  1  0.251  0.251  0.747  1.0
  O  O9  1  0.251  0.747  0.251  1.0
  O  O10  1  0.251  0.251  0.251  1.0
  O  O11  1  0.747  0.251  0.251  1.0
  O  O12  1  0.749  0.253  0.749  1.0
  O  O13  1  0.253  0.749  0.749  1.0
[/CIF]
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