The structure described by La2CuSbS5 crystallizes in the orthorhombic Ima2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 10-coordinate geometry to two equivalent S(3), four equivalent S(1), and four equivalent S(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one Sb(1), two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. Cu(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(2) atoms. Sb(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent S(1), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one La(2), two equivalent La(1), one Cu(1), and one Sb(1) atom to form distorted SLa3CuSb trigonal bipyramids that share corners with three equivalent S(3)La4Sb2 octahedra, corners with five equivalent S(1)La3CuSb trigonal bipyramids,  an edgeedge with one S(3)La4Sb2 octahedra, edges with two equivalent S(1)La3CuSb trigonal bipyramids, and  a faceface with one S(3)La4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 42-64°. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Cu(1) atom. In the third S site, S(3) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Sb(1) atoms to form SLa4Sb2 octahedra that share corners with six equivalent S(3)La4Sb2 octahedra, corners with six equivalent S(1)La3CuSb trigonal bipyramids, edges with two equivalent S(1)La3CuSb trigonal bipyramids, and faces with two equivalent S(1)La3CuSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-52°. is represented by the CIF file [CIF]
data_La2CuSbS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.565
_cell_length_b   8.565
_cell_length_c   8.565
_cell_angle_alpha   127.587
_cell_angle_beta   126.726
_cell_angle_gamma   77.997
_symmetry_Int_Tables_number   1
_cell_volume   386.686
_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
  La  La0  1  0.782  0.500  0.282  1.0
  La  La1  1  0.282  0.000  0.282  1.0
  La  La2  1  0.416  0.884  0.800  1.0
  La  La3  1  0.916  0.116  0.532  1.0
  Cu  Cu4  1  0.317  0.500  0.817  1.0
  Cu  Cu5  1  0.817  0.000  0.817  1.0
  Sb  Sb6  1  0.747  0.579  0.827  1.0
  Sb  Sb7  1  0.247  0.421  0.168  1.0
  S  S8  1  0.013  0.560  0.776  1.0
  S  S9  1  0.216  0.440  0.453  1.0
  S  S10  1  0.716  0.262  0.776  1.0
  S  S11  1  0.513  0.738  0.453  1.0
  S  S12  1  0.560  0.785  0.135  1.0
  S  S13  1  0.350  0.215  0.775  1.0
  S  S14  1  0.850  0.075  0.135  1.0
  S  S15  1  0.060  0.925  0.775  1.0
  S  S16  1  0.033  0.742  0.275  1.0
  S  S17  1  0.533  0.258  0.291  1.0
[/CIF]
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The structure described by La2CuSbS5 crystallizes in the orthorhombic Ima2 space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 10-coordinate geometry to two equivalent S(3), four equivalent S(1), and four equivalent S(2) atoms. In the second La site, La(2) is bonded in a 9-coordinate geometry to one Sb(1), two equivalent S(1), two equivalent S(3), and four equivalent S(2) atoms. Cu(1) is bonded in a tetrahedral geometry to two equivalent S(1) and two equivalent S(2) atoms. Sb(1) is bonded in a 5-coordinate geometry to one La(2), two equivalent S(1), and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one La(2), two equivalent La(1), one Cu(1), and one Sb(1) atom to form distorted SLa3CuSb trigonal bipyramids that share corners with three equivalent S(3)La4Sb2 octahedra, corners with five equivalent S(1)La3CuSb trigonal bipyramids,  an edgeedge with one S(3)La4Sb2 octahedra, edges with two equivalent S(1)La3CuSb trigonal bipyramids, and  a faceface with one S(3)La4Sb2 octahedra. The corner-sharing octahedral tilt angles range from 42-64°. In the second S site, S(2) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent La(2), and one Cu(1) atom. In the third S site, S(3) is bonded to two equivalent La(1), two equivalent La(2), and two equivalent Sb(1) atoms to form SLa4Sb2 octahedra that share corners with six equivalent S(3)La4Sb2 octahedra, corners with six equivalent S(1)La3CuSb trigonal bipyramids, edges with two equivalent S(1)La3CuSb trigonal bipyramids, and faces with two equivalent S(1)La3CuSb trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-52°. is represented by the CIF file [CIF]
data_La2CuSbS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.565
_cell_length_b   8.565
_cell_length_c   8.565
_cell_angle_alpha   127.587
_cell_angle_beta   126.726
_cell_angle_gamma   77.997
_symmetry_Int_Tables_number   1
_cell_volume   386.686
_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
  La  La0  1  0.782  0.500  0.282  1.0
  La  La1  1  0.282  0.000  0.282  1.0
  La  La2  1  0.416  0.884  0.800  1.0
  La  La3  1  0.916  0.116  0.532  1.0
  Cu  Cu4  1  0.317  0.500  0.817  1.0
  Cu  Cu5  1  0.817  0.000  0.817  1.0
  Sb  Sb6  1  0.747  0.579  0.827  1.0
  Sb  Sb7  1  0.247  0.421  0.168  1.0
  S  S8  1  0.013  0.560  0.776  1.0
  S  S9  1  0.216  0.440  0.453  1.0
  S  S10  1  0.716  0.262  0.776  1.0
  S  S11  1  0.513  0.738  0.453  1.0
  S  S12  1  0.560  0.785  0.135  1.0
  S  S13  1  0.350  0.215  0.775  1.0
  S  S14  1  0.850  0.075  0.135  1.0
  S  S15  1  0.060  0.925  0.775  1.0
  S  S16  1  0.033  0.742  0.275  1.0
  S  S17  1  0.533  0.258  0.291  1.0
[/CIF]
.