The compound described by LiLuO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Lu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and three equivalent Lu(1) atoms to form a mixture of distorted edge and corner-sharing OLi2Lu3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Lu(1) atoms to form a mixture of edge and corner-sharing OLi2Lu3 square pyramids. is represented by the CIF file [CIF]
data_LiLuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.094
_cell_length_b   5.840
_cell_length_c   5.852
_cell_angle_alpha   62.904
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.409
_cell_formula_units_Z   4
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  0.134  0.740  0.518  1.0
  Li  Li1  1  0.634  0.260  0.982  1.0
  Li  Li2  1  0.366  0.740  0.018  1.0
  Li  Li3  1  0.866  0.260  0.482  1.0
  Lu  Lu4  1  0.874  0.754  0.995  1.0
  Lu  Lu5  1  0.626  0.754  0.495  1.0
  Lu  Lu6  1  0.374  0.246  0.505  1.0
  Lu  Lu7  1  0.126  0.246  0.005  1.0
  O  O8  1  0.140  0.012  0.794  1.0
  O  O9  1  0.360  0.012  0.294  1.0
  O  O10  1  0.882  0.533  0.768  1.0
  O  O11  1  0.382  0.467  0.732  1.0
  O  O12  1  0.618  0.533  0.268  1.0
  O  O13  1  0.118  0.467  0.232  1.0
  O  O14  1  0.640  0.988  0.706  1.0
  O  O15  1  0.860  0.988  0.206  1.0
[/CIF]
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The compound described by LiLuO2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. Lu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form a mixture of edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1) and three equivalent Lu(1) atoms to form a mixture of distorted edge and corner-sharing OLi2Lu3 square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Lu(1) atoms to form a mixture of edge and corner-sharing OLi2Lu3 square pyramids. is represented by the CIF file [CIF]
data_LiLuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.094
_cell_length_b   5.840
_cell_length_c   5.852
_cell_angle_alpha   62.904
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   185.409
_cell_formula_units_Z   4
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  0.134  0.740  0.518  1.0
  Li  Li1  1  0.634  0.260  0.982  1.0
  Li  Li2  1  0.366  0.740  0.018  1.0
  Li  Li3  1  0.866  0.260  0.482  1.0
  Lu  Lu4  1  0.874  0.754  0.995  1.0
  Lu  Lu5  1  0.626  0.754  0.495  1.0
  Lu  Lu6  1  0.374  0.246  0.505  1.0
  Lu  Lu7  1  0.126  0.246  0.005  1.0
  O  O8  1  0.140  0.012  0.794  1.0
  O  O9  1  0.360  0.012  0.294  1.0
  O  O10  1  0.882  0.533  0.768  1.0
  O  O11  1  0.382  0.467  0.732  1.0
  O  O12  1  0.618  0.533  0.268  1.0
  O  O13  1  0.118  0.467  0.232  1.0
  O  O14  1  0.640  0.988  0.706  1.0
  O  O15  1  0.860  0.988  0.206  1.0
[/CIF]
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