The crystal structure described by SrLuCuS3 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1) and six equivalent S(2) atoms. Lu(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LuS6 octahedra that share corners with two equivalent Lu(1)S6 octahedra, edges with two equivalent Lu(1)S6 octahedra, and edges with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Lu(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1), two equivalent Lu(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Lu2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Sr(1), two equivalent Lu(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLuCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   6.798
_cell_length_c   10.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.662
_symmetry_Int_Tables_number   1
_cell_volume   254.868
_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
  Sr  Sr0  1  0.749  0.251  0.750  1.0
  Sr  Sr1  1  0.251  0.749  0.250  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.528  0.472  0.250  1.0
  Cu  Cu5  1  0.472  0.528  0.750  1.0
  S  S6  1  0.075  0.925  0.750  1.0
  S  S7  1  0.925  0.075  0.250  1.0
  S  S8  1  0.635  0.365  0.064  1.0
  S  S9  1  0.635  0.365  0.436  1.0
  S  S10  1  0.365  0.635  0.564  1.0
  S  S11  1  0.365  0.635  0.936  1.0
[/CIF]
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The crystal structure described by SrLuCuS3 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent S(1) and six equivalent S(2) atoms. Lu(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LuS6 octahedra that share corners with two equivalent Lu(1)S6 octahedra, edges with two equivalent Lu(1)S6 octahedra, and edges with four equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Cu(1)S4 tetrahedra and edges with four equivalent Lu(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Sr(1), two equivalent Lu(1), and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing SSr2Lu2Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Sr(1), two equivalent Lu(1), and one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrLuCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.798
_cell_length_b   6.798
_cell_length_c   10.036
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   146.662
_symmetry_Int_Tables_number   1
_cell_volume   254.868
_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
  Sr  Sr0  1  0.749  0.251  0.750  1.0
  Sr  Sr1  1  0.251  0.749  0.250  1.0
  Lu  Lu2  1  0.000  0.000  0.000  1.0
  Lu  Lu3  1  0.000  0.000  0.500  1.0
  Cu  Cu4  1  0.528  0.472  0.250  1.0
  Cu  Cu5  1  0.472  0.528  0.750  1.0
  S  S6  1  0.075  0.925  0.750  1.0
  S  S7  1  0.925  0.075  0.250  1.0
  S  S8  1  0.635  0.365  0.064  1.0
  S  S9  1  0.635  0.365  0.436  1.0
  S  S10  1  0.365  0.635  0.564  1.0
  S  S11  1  0.365  0.635  0.936  1.0
[/CIF]
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