The structure described by Lu3S4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedra are not tilted. In the second Lu site, Lu(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to two equivalent Lu(1) and two equivalent Lu(2) atoms. In the second S site, S(2) is bonded to one Lu(2) and four equivalent Lu(1) atoms to form a mixture of corner and edge-sharing SLu5 square pyramids. is represented by the CIF file [CIF]
data_Lu3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.346
_cell_length_b   5.346
_cell_length_c   6.523
_cell_angle_alpha   65.810
_cell_angle_beta   65.810
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.940
_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  0.250  0.750  0.500  1.0
  Lu  Lu1  1  0.500  0.500  0.000  1.0
  Lu  Lu2  1  0.750  0.250  0.500  1.0
  S  S3  1  0.500  0.000  0.000  1.0
  S  S4  1  0.749  0.749  0.501  1.0
  S  S5  1  0.000  0.500  0.000  1.0
  S  S6  1  0.251  0.251  0.499  1.0
[/CIF]
.
The structure described by Lu3S4 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedra are not tilted. In the second Lu site, Lu(2) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded in a square co-planar geometry to two equivalent Lu(1) and two equivalent Lu(2) atoms. In the second S site, S(2) is bonded to one Lu(2) and four equivalent Lu(1) atoms to form a mixture of corner and edge-sharing SLu5 square pyramids. is represented by the CIF file [CIF]
data_Lu3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.346
_cell_length_b   5.346
_cell_length_c   6.523
_cell_angle_alpha   65.810
_cell_angle_beta   65.810
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.940
_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  0.250  0.750  0.500  1.0
  Lu  Lu1  1  0.500  0.500  0.000  1.0
  Lu  Lu2  1  0.750  0.250  0.500  1.0
  S  S3  1  0.500  0.000  0.000  1.0
  S  S4  1  0.749  0.749  0.501  1.0
  S  S5  1  0.000  0.500  0.000  1.0
  S  S6  1  0.251  0.251  0.499  1.0
[/CIF]
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