The structure described by LuPrS3 is Corundum-derived structured and crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. Pr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of corner and edge-sharing PrS6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(1) and two equivalent Pr(1) atoms to form corner-sharing SPr2Lu2 tetrahedra. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Lu(1) and two equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_PrLuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.675
_cell_length_b   6.675
_cell_length_c   9.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.933
_symmetry_Int_Tables_number   1
_cell_volume   242.907
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.000  0.000  0.500  1.0
  Lu  Lu2  1  0.244  0.756  0.250  1.0
  Lu  Lu3  1  0.756  0.244  0.750  1.0
  S  S4  1  0.890  0.110  0.250  1.0
  S  S5  1  0.110  0.890  0.750  1.0
  S  S6  1  0.649  0.351  0.084  1.0
  S  S7  1  0.351  0.649  0.584  1.0
  S  S8  1  0.649  0.351  0.416  1.0
  S  S9  1  0.351  0.649  0.916  1.0
[/CIF]
.
The structure described by LuPrS3 is Corundum-derived structured and crystallizes in the orthorhombic Cmcm space group. Lu(1) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(2) atoms. Pr(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of corner and edge-sharing PrS6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(1) and two equivalent Pr(1) atoms to form corner-sharing SPr2Lu2 tetrahedra. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Lu(1) and two equivalent Pr(1) atoms. is represented by the CIF file [CIF]
data_PrLuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.675
_cell_length_b   6.675
_cell_length_c   9.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.933
_symmetry_Int_Tables_number   1
_cell_volume   242.907
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.000  0.000  0.500  1.0
  Lu  Lu2  1  0.244  0.756  0.250  1.0
  Lu  Lu3  1  0.756  0.244  0.750  1.0
  S  S4  1  0.890  0.110  0.250  1.0
  S  S5  1  0.110  0.890  0.750  1.0
  S  S6  1  0.649  0.351  0.084  1.0
  S  S7  1  0.351  0.649  0.584  1.0
  S  S8  1  0.649  0.351  0.416  1.0
  S  S9  1  0.351  0.649  0.916  1.0
[/CIF]
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