The compound described by LiLuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Lu(1) is bonded to six equivalent O(1) atoms to form LuO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. O(1) is bonded to three equivalent Li(1) and three equivalent Lu(1) atoms to form a mixture of corner and edge-sharing OLi3Lu3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LiLuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.376
_cell_length_b   5.376
_cell_length_c   5.376
_cell_angle_alpha   35.456
_cell_angle_beta   35.456
_cell_angle_gamma   35.456
_symmetry_Int_Tables_number   1
_cell_volume   46.712
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.244  0.244  0.244  1.0
  O  O3  1  0.756  0.756  0.756  1.0
[/CIF]
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The compound described by LiLuO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Lu(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. Lu(1) is bonded to six equivalent O(1) atoms to form LuO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. O(1) is bonded to three equivalent Li(1) and three equivalent Lu(1) atoms to form a mixture of corner and edge-sharing OLi3Lu3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LiLuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.376
_cell_length_b   5.376
_cell_length_c   5.376
_cell_angle_alpha   35.456
_cell_angle_beta   35.456
_cell_angle_gamma   35.456
_symmetry_Int_Tables_number   1
_cell_volume   46.712
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.244  0.244  0.244  1.0
  O  O3  1  0.756  0.756  0.756  1.0
[/CIF]
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