data_Lu2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23
_cell_length_b   6.23
_cell_length_c   3.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2S
_chemical_formula_sum   'Lu4 S2'
_cell_volume   147.09
_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  0.83  0.83  0.0  1.0
  Lu  Lu1  1  0.41  0.41  0.0  1.0
  Lu  Lu2  1  0.95  0.29  0.89  1.0
  Lu  Lu3  1  0.29  0.95  0.89  1.0
  S  S4  1  0.0  0.0  0.0  1.0
  S  S5  1  0.12  0.12  0.89  1.0

data_Lu2S
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.82
_cell_length_b   8.82
_cell_length_c   3.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Lu2S
_chemical_formula_sum   'Lu8 S4'
_cell_volume   294.19
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.12  0.17  0.89  1.0
  Lu  Lu1  2  0.33  0.5  0.0  1.0
  Lu  Lu2  2  0.41  0.0  0.0  1.0
  S  S3  2  0.0  0.0  0.0  1.0
  S  S4  2  0.12  0.0  0.89  1.0

Lu Lu Lu Lu S S
Lu2S crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Lu2S clusters. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a single-bond geometry to one S(1) atom. The Lu(1)-S(1) bond length is 1.51 Å. In the second Lu site, Lu(2) is bonded in a single-bond geometry to one S(2) atom. The Lu(2)-S(2) bond length is 2.58 Å. In the third Lu site, Lu(3) is bonded in a distorted single-bond geometry to one S(1) and one S(2) atom. The Lu(3)-S(1) bond length is 1.88 Å. The Lu(3)-S(2) bond length is 1.51 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Lu(1), two equivalent Lu(3), and one S(2) atom. The S(1)-S(2) bond length is 1.11 Å. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Lu(2), two equivalent Lu(3), and one S(1) atom.