The material structure described by LuS2 crystallizes in the tetragonal P4/nmm space group. Lu(1) is bonded in a 9-coordinate geometry to four equivalent S(2) and five equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Lu(1) atoms to form a mixture of distorted edge and corner-sharing SLu5 trigonal bipyramids. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Lu(1) and four equivalent S(2) atoms. is represented by the CIF file [CIF]
data_LuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   3.784
_cell_length_c   7.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   111.189
_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
  Lu  Lu0  1  0.750  0.750  0.727  1.0
  Lu  Lu1  1  0.250  0.250  0.273  1.0
  S  S2  1  0.750  0.750  0.369  1.0
  S  S3  1  0.250  0.250  0.631  1.0
  S  S4  1  0.750  0.250  0.000  1.0
  S  S5  1  0.250  0.750  0.000  1.0
[/CIF]
.
The material structure described by LuS2 crystallizes in the tetragonal P4/nmm space group. Lu(1) is bonded in a 9-coordinate geometry to four equivalent S(2) and five equivalent S(1) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to five equivalent Lu(1) atoms to form a mixture of distorted edge and corner-sharing SLu5 trigonal bipyramids. In the second S site, S(2) is bonded in a 8-coordinate geometry to four equivalent Lu(1) and four equivalent S(2) atoms. is represented by the CIF file [CIF]
data_LuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.784
_cell_length_b   3.784
_cell_length_c   7.766
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   89.997
_symmetry_Int_Tables_number   1
_cell_volume   111.189
_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
  Lu  Lu0  1  0.750  0.750  0.727  1.0
  Lu  Lu1  1  0.250  0.250  0.273  1.0
  S  S2  1  0.750  0.750  0.369  1.0
  S  S3  1  0.250  0.250  0.631  1.0
  S  S4  1  0.750  0.250  0.000  1.0
  S  S5  1  0.250  0.750  0.000  1.0
[/CIF]
.