The compound described by NaLuS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent S(1) atoms to form NaS6 octahedra that share corners with six equivalent Lu(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. Lu(1) is bonded to six equivalent S(1) atoms to form LuS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. S(1) is bonded to three equivalent Na(1) and three equivalent Lu(1) atoms to form a mixture of edge and corner-sharing SNa3Lu3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.875
_cell_length_b   3.875
_cell_length_c   6.966
_cell_angle_alpha   73.850
_cell_angle_beta   73.850
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   85.809
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.241  0.241  0.276  1.0
  S  S3  1  0.759  0.759  0.724  1.0
[/CIF]
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The compound described by NaLuS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Na(1) is bonded to six equivalent S(1) atoms to form NaS6 octahedra that share corners with six equivalent Lu(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. Lu(1) is bonded to six equivalent S(1) atoms to form LuS6 octahedra that share corners with six equivalent Na(1)S6 octahedra, edges with six equivalent Na(1)S6 octahedra, and edges with six equivalent Lu(1)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. S(1) is bonded to three equivalent Na(1) and three equivalent Lu(1) atoms to form a mixture of edge and corner-sharing SNa3Lu3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.875
_cell_length_b   3.875
_cell_length_c   6.966
_cell_angle_alpha   73.850
_cell_angle_beta   73.850
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   85.809
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.241  0.241  0.276  1.0
  S  S3  1  0.759  0.759  0.724  1.0
[/CIF]
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