The compound described by Y2(CuS2)3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form distorted YS6 octahedra that share corners with two equivalent Y(1)S6 octahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra,  an edgeedge with one Cu(2)S4 tetrahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(4), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with four equivalent Y(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(2)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra,  an edgeedge with one Cu(1)S4 tetrahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-56°. In the second Cu site, Cu(2) is bonded to one S(2), one S(4), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with four equivalent Y(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-57°. There are four inequivalent S sites. In the first S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), one Cu(2), and two equivalent Cu(1) atoms. In the second S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Y(1), one Cu(2), and two equivalent Cu(1) atoms. In the third S site, S(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Cu(1) atom. In the fourth S site, S(2) is bonded in a distorted T-shaped geometry to two equivalent Y(1) and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2(CuS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.276
_cell_length_b   11.466
_cell_length_c   13.557
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   975.633
_cell_formula_units_Z   4
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
  Y  Y0  1  0.996  0.581  0.639  1.0
  Y  Y1  1  0.996  0.919  0.639  1.0
  Y  Y2  1  0.004  0.419  0.361  1.0
  Y  Y3  1  0.004  0.081  0.361  1.0
  Y  Y4  1  0.496  0.419  0.861  1.0
  Y  Y5  1  0.496  0.081  0.861  1.0
  Y  Y6  1  0.504  0.581  0.139  1.0
  Y  Y7  1  0.504  0.919  0.139  1.0
  Cu  Cu8  1  0.133  0.413  0.049  1.0
  Cu  Cu9  1  0.133  0.087  0.049  1.0
  Cu  Cu10  1  0.135  0.750  0.047  1.0
  Cu  Cu11  1  0.633  0.587  0.451  1.0
  Cu  Cu12  1  0.635  0.250  0.453  1.0
  Cu  Cu13  1  0.633  0.913  0.451  1.0
  Cu  Cu14  1  0.867  0.587  0.951  1.0
  Cu  Cu15  1  0.865  0.250  0.953  1.0
  Cu  Cu16  1  0.867  0.913  0.951  1.0
  Cu  Cu17  1  0.367  0.413  0.549  1.0
  Cu  Cu18  1  0.367  0.087  0.549  1.0
  Cu  Cu19  1  0.365  0.750  0.547  1.0
  S  S20  1  0.246  0.412  0.703  1.0
  S  S21  1  0.246  0.088  0.703  1.0
  S  S22  1  0.245  0.750  0.702  1.0
  S  S23  1  0.754  0.588  0.297  1.0
  S  S24  1  0.755  0.250  0.298  1.0
  S  S25  1  0.754  0.912  0.297  1.0
  S  S26  1  0.746  0.588  0.797  1.0
  S  S27  1  0.745  0.250  0.798  1.0
  S  S28  1  0.746  0.912  0.797  1.0
  S  S29  1  0.254  0.412  0.203  1.0
  S  S30  1  0.254  0.088  0.203  1.0
  S  S31  1  0.255  0.750  0.202  1.0
  S  S32  1  0.743  0.421  0.535  1.0
  S  S33  1  0.743  0.079  0.535  1.0
  S  S34  1  0.732  0.750  0.539  1.0
  S  S35  1  0.757  0.421  0.035  1.0
  S  S36  1  0.757  0.079  0.035  1.0
  S  S37  1  0.768  0.750  0.039  1.0
  S  S38  1  0.243  0.579  0.965  1.0
  S  S39  1  0.232  0.250  0.961  1.0
  S  S40  1  0.243  0.921  0.965  1.0
  S  S41  1  0.257  0.579  0.465  1.0
  S  S42  1  0.268  0.250  0.461  1.0
  S  S43  1  0.257  0.921  0.465  1.0
[/CIF]
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The compound described by Y2(CuS2)3 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form distorted YS6 octahedra that share corners with two equivalent Y(1)S6 octahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra,  an edgeedge with one Cu(2)S4 tetrahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(4), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with four equivalent Y(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(2)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra,  an edgeedge with one Cu(1)S4 tetrahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-56°. In the second Cu site, Cu(2) is bonded to one S(2), one S(4), and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with four equivalent Y(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 19-57°. There are four inequivalent S sites. In the first S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Y(1), one Cu(2), and two equivalent Cu(1) atoms. In the second S site, S(4) is bonded in a 5-coordinate geometry to two equivalent Y(1), one Cu(2), and two equivalent Cu(1) atoms. In the third S site, S(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Cu(1) atom. In the fourth S site, S(2) is bonded in a distorted T-shaped geometry to two equivalent Y(1) and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2(CuS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.276
_cell_length_b   11.466
_cell_length_c   13.557
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   975.633
_cell_formula_units_Z   4
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
  Y  Y0  1  0.996  0.581  0.639  1.0
  Y  Y1  1  0.996  0.919  0.639  1.0
  Y  Y2  1  0.004  0.419  0.361  1.0
  Y  Y3  1  0.004  0.081  0.361  1.0
  Y  Y4  1  0.496  0.419  0.861  1.0
  Y  Y5  1  0.496  0.081  0.861  1.0
  Y  Y6  1  0.504  0.581  0.139  1.0
  Y  Y7  1  0.504  0.919  0.139  1.0
  Cu  Cu8  1  0.133  0.413  0.049  1.0
  Cu  Cu9  1  0.133  0.087  0.049  1.0
  Cu  Cu10  1  0.135  0.750  0.047  1.0
  Cu  Cu11  1  0.633  0.587  0.451  1.0
  Cu  Cu12  1  0.635  0.250  0.453  1.0
  Cu  Cu13  1  0.633  0.913  0.451  1.0
  Cu  Cu14  1  0.867  0.587  0.951  1.0
  Cu  Cu15  1  0.865  0.250  0.953  1.0
  Cu  Cu16  1  0.867  0.913  0.951  1.0
  Cu  Cu17  1  0.367  0.413  0.549  1.0
  Cu  Cu18  1  0.367  0.087  0.549  1.0
  Cu  Cu19  1  0.365  0.750  0.547  1.0
  S  S20  1  0.246  0.412  0.703  1.0
  S  S21  1  0.246  0.088  0.703  1.0
  S  S22  1  0.245  0.750  0.702  1.0
  S  S23  1  0.754  0.588  0.297  1.0
  S  S24  1  0.755  0.250  0.298  1.0
  S  S25  1  0.754  0.912  0.297  1.0
  S  S26  1  0.746  0.588  0.797  1.0
  S  S27  1  0.745  0.250  0.798  1.0
  S  S28  1  0.746  0.912  0.797  1.0
  S  S29  1  0.254  0.412  0.203  1.0
  S  S30  1  0.254  0.088  0.203  1.0
  S  S31  1  0.255  0.750  0.202  1.0
  S  S32  1  0.743  0.421  0.535  1.0
  S  S33  1  0.743  0.079  0.535  1.0
  S  S34  1  0.732  0.750  0.539  1.0
  S  S35  1  0.757  0.421  0.035  1.0
  S  S36  1  0.757  0.079  0.035  1.0
  S  S37  1  0.768  0.750  0.039  1.0
  S  S38  1  0.243  0.579  0.965  1.0
  S  S39  1  0.232  0.250  0.961  1.0
  S  S40  1  0.243  0.921  0.965  1.0
  S  S41  1  0.257  0.579  0.465  1.0
  S  S42  1  0.268  0.250  0.461  1.0
  S  S43  1  0.257  0.921  0.465  1.0
[/CIF]
.