The compound described by Lu2O2S crystallizes in the trigonal P-3m1 space group. Lu(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Lu(1) atoms to form SLu6 octahedra that share corners with twelve equivalent O(1)Lu4 tetrahedra, edges with six equivalent S(1)Lu6 octahedra, and edges with six equivalent O(1)Lu4 tetrahedra. O(1) is bonded to four equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with six equivalent S(1)Lu6 octahedra, corners with six equivalent O(1)Lu4 tetrahedra, edges with three equivalent S(1)Lu6 octahedra, and edges with three equivalent O(1)Lu4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.673
_cell_length_b   3.673
_cell_length_c   6.440
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   75.234
_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
  Lu  Lu0  1  0.667  0.333  0.715  1.0
  Lu  Lu1  1  0.333  0.667  0.285  1.0
  S  S2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.667  0.333  0.371  1.0
  O  O4  1  0.333  0.667  0.629  1.0
[/CIF]
.
The compound described by Lu2O2S crystallizes in the trigonal P-3m1 space group. Lu(1) is bonded in a 7-coordinate geometry to three equivalent S(1) and four equivalent O(1) atoms. S(1) is bonded to six equivalent Lu(1) atoms to form SLu6 octahedra that share corners with twelve equivalent O(1)Lu4 tetrahedra, edges with six equivalent S(1)Lu6 octahedra, and edges with six equivalent O(1)Lu4 tetrahedra. O(1) is bonded to four equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with six equivalent S(1)Lu6 octahedra, corners with six equivalent O(1)Lu4 tetrahedra, edges with three equivalent S(1)Lu6 octahedra, and edges with three equivalent O(1)Lu4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-49°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2SO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.673
_cell_length_b   3.673
_cell_length_c   6.440
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   75.234
_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
  Lu  Lu0  1  0.667  0.333  0.715  1.0
  Lu  Lu1  1  0.333  0.667  0.285  1.0
  S  S2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.667  0.333  0.371  1.0
  O  O4  1  0.333  0.667  0.629  1.0
[/CIF]
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