The structure described by LuNdS3 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. Nd(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of corner and edge-sharing NdS6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(1) and two equivalent Nd(1) atoms to form corner-sharing SNd2Lu2 tetrahedra. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Lu(1) and two equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdLuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.653
_cell_length_b   6.653
_cell_length_c   9.866
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.905
_symmetry_Int_Tables_number   1
_cell_volume   238.462
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Lu  Lu2  1  0.246  0.754  0.250  1.0
  Lu  Lu3  1  0.754  0.246  0.750  1.0
  S  S4  1  0.892  0.108  0.250  1.0
  S  S5  1  0.108  0.892  0.750  1.0
  S  S6  1  0.649  0.351  0.081  1.0
  S  S7  1  0.351  0.649  0.581  1.0
  S  S8  1  0.649  0.351  0.419  1.0
  S  S9  1  0.351  0.649  0.919  1.0
[/CIF]
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The structure described by LuNdS3 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. Nd(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form a mixture of corner and edge-sharing NdS6 octahedra. The corner-sharing octahedral tilt angles are 58°. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Lu(1) and two equivalent Nd(1) atoms to form corner-sharing SNd2Lu2 tetrahedra. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Lu(1) and two equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_NdLuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.653
_cell_length_b   6.653
_cell_length_c   9.866
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.905
_symmetry_Int_Tables_number   1
_cell_volume   238.462
_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
  Nd  Nd0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.000  0.000  0.500  1.0
  Lu  Lu2  1  0.246  0.754  0.250  1.0
  Lu  Lu3  1  0.754  0.246  0.750  1.0
  S  S4  1  0.892  0.108  0.250  1.0
  S  S5  1  0.108  0.892  0.750  1.0
  S  S6  1  0.649  0.351  0.081  1.0
  S  S7  1  0.351  0.649  0.581  1.0
  S  S8  1  0.649  0.351  0.419  1.0
  S  S9  1  0.351  0.649  0.919  1.0
[/CIF]
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