The crystal structure described by K2Dy4Cu4S9 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), two equivalent S(5), and two equivalent S(8) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(4), two equivalent S(6), and two equivalent S(7) atoms. There are four inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one S(5), one S(7), two equivalent S(6), and two equivalent S(9) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(3)S6 octahedra, corners with two equivalent Dy(2)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, edges with three equivalent Dy(2)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-36°. In the second Dy site, Dy(2) is bonded to one S(3), one S(6), two equivalent S(5), and two equivalent S(9) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(4)S6 octahedra, corners with two equivalent Dy(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with two equivalent Dy(2)S6 octahedra, edges with three equivalent Dy(1)S6 octahedra, and edges with two equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-35°. In the third Dy site, Dy(3) is bonded to one S(2), one S(7), two equivalent S(1), and two equivalent S(4) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(1)S6 octahedra, corners with four equivalent Cu(3)S4 tetrahedra, edges with two equivalent Dy(3)S6 octahedra, edges with two equivalent Dy(4)S6 octahedra,  an edgeedge with one Cu(3)S4 tetrahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the fourth Dy site, Dy(4) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(8) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(2)S6 octahedra, corners with four equivalent Cu(4)S4 tetrahedra, edges with two equivalent Dy(3)S6 octahedra, edges with two equivalent Dy(4)S6 octahedra,  an edgeedge with one Cu(4)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(4), one S(6), and two equivalent S(7) atoms to form CuS4 tetrahedra that share  a cornercorner with one Dy(2)S6 octahedra,  a cornercorner with one Cu(3)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with two equivalent Dy(3)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Cu site, Cu(2) is bonded to one S(5), one S(8), and two equivalent S(3) atoms to form CuS4 tetrahedra that share  a cornercorner with one Dy(1)S6 octahedra,  a cornercorner with one Cu(3)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with two equivalent Dy(2)S6 octahedra, and edges with two equivalent Dy(4)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third Cu site, Cu(3) is bonded to one S(4), one S(8), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Dy(3)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(2)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra,  an edgeedge with one Dy(3)S6 octahedra, edges with two equivalent Dy(4)S6 octahedra, and  an edgeedge with one Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-61°. In the fourth Cu site, Cu(4) is bonded to one S(4), one S(8), and two equivalent S(2) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Dy(4)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(2)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra,  an edgeedge with one Dy(4)S6 octahedra, edges with two equivalent Dy(3)S6 octahedra, and  an edgeedge with one Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-60°. There are nine inequivalent S sites. In the first S site, S(1) is bonded to one K(2), one Dy(4), two equivalent Dy(3), and two equivalent Cu(3) atoms to form distorted SKDy3Cu2 octahedra that share corners with two equivalent S(6)K2Dy3Cu octahedra, edges with two equivalent S(1)KDy3Cu2 octahedra, and edges with two equivalent S(2)KDy3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the second S site, S(2) is bonded to one K(1), one Dy(3), two equivalent Dy(4), and two equivalent Cu(4) atoms to form distorted SKDy3Cu2 octahedra that share corners with two equivalent S(5)K2Dy3Cu octahedra, edges with two equivalent S(1)KDy3Cu2 octahedra, and edges with two equivalent S(2)KDy3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Dy(2), one Dy(4), and two equivalent Cu(2) atoms. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to two equivalent K(2), two equivalent Dy(3), one Cu(1), one Cu(3), and one Cu(4) atom. In the fifth S site, S(5) is bonded to two equivalent K(1), one Dy(1), two equivalent Dy(2), and one Cu(2) atom to form distorted SK2Dy3Cu octahedra that share corners with two equivalent S(2)KDy3Cu2 octahedra, edges with two equivalent S(5)K2Dy3Cu octahedra, and edges with two equivalent S(6)K2Dy3Cu octahedra. The corner-sharing octahedral tilt angles range from 40-42°. In the sixth S site, S(6) is bonded to two equivalent K(2), one Dy(2), two equivalent Dy(1), and one Cu(1) atom to form distorted SK2Dy3Cu octahedra that share corners with two equivalent S(1)KDy3Cu2 octahedra, edges with two equivalent S(5)K2Dy3Cu octahedra, and edges with two equivalent S(6)K2Dy3Cu octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to two equivalent K(2), one Dy(1), one Dy(3), and two equivalent Cu(1) atoms. In the eighth S site, S(8) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Dy(4), one Cu(2), one Cu(3), and one Cu(4) atom. In the ninth S site, S(9) is bonded in a square co-planar geometry to two equivalent Dy(1) and two equivalent Dy(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Dy4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.951
_cell_length_b   7.164
_cell_length_c   15.189
_cell_angle_alpha   93.464
_cell_angle_beta   97.351
_cell_angle_gamma   105.967
_symmetry_Int_Tables_number   1
_cell_volume   407.820
_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
  K  K0  1  0.744  0.709  0.768  1.0
  K  K1  1  0.259  0.283  0.229  1.0
  Dy  Dy2  1  0.400  0.743  0.055  1.0
  Dy  Dy3  1  0.603  0.254  0.945  1.0
  Dy  Dy4  1  0.628  0.862  0.396  1.0
  Dy  Dy5  1  0.368  0.139  0.605  1.0
  Cu  Cu6  1  0.987  0.736  0.229  1.0
  Cu  Cu7  1  0.022  0.262  0.772  1.0
  Cu  Cu8  1  0.884  0.322  0.461  1.0
  Cu  Cu9  1  0.108  0.680  0.539  1.0
  S  S10  1  0.283  0.150  0.425  1.0
  S  S11  1  0.711  0.850  0.576  1.0
  S  S12  1  0.432  0.079  0.778  1.0
  S  S13  1  0.983  0.593  0.374  1.0
  S  S14  1  0.200  0.495  0.897  1.0
  S  S15  1  0.801  0.502  0.104  1.0
  S  S16  1  0.571  0.921  0.222  1.0
  S  S17  1  0.013  0.409  0.627  1.0
  S  S18  1  0.001  0.997  1.000  1.0
[/CIF]
.
The crystal structure described by K2Dy4Cu4S9 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one S(2), two equivalent S(3), two equivalent S(5), and two equivalent S(8) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(4), two equivalent S(6), and two equivalent S(7) atoms. There are four inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one S(5), one S(7), two equivalent S(6), and two equivalent S(9) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(3)S6 octahedra, corners with two equivalent Dy(2)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, edges with three equivalent Dy(2)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-36°. In the second Dy site, Dy(2) is bonded to one S(3), one S(6), two equivalent S(5), and two equivalent S(9) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(4)S6 octahedra, corners with two equivalent Dy(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with two equivalent Dy(2)S6 octahedra, edges with three equivalent Dy(1)S6 octahedra, and edges with two equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-35°. In the third Dy site, Dy(3) is bonded to one S(2), one S(7), two equivalent S(1), and two equivalent S(4) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(1)S6 octahedra, corners with four equivalent Cu(3)S4 tetrahedra, edges with two equivalent Dy(3)S6 octahedra, edges with two equivalent Dy(4)S6 octahedra,  an edgeedge with one Cu(3)S4 tetrahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. In the fourth Dy site, Dy(4) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(8) atoms to form DyS6 octahedra that share  a cornercorner with one Dy(2)S6 octahedra, corners with four equivalent Cu(4)S4 tetrahedra, edges with two equivalent Dy(3)S6 octahedra, edges with two equivalent Dy(4)S6 octahedra,  an edgeedge with one Cu(4)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(4), one S(6), and two equivalent S(7) atoms to form CuS4 tetrahedra that share  a cornercorner with one Dy(2)S6 octahedra,  a cornercorner with one Cu(3)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Dy(1)S6 octahedra, and edges with two equivalent Dy(3)S6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second Cu site, Cu(2) is bonded to one S(5), one S(8), and two equivalent S(3) atoms to form CuS4 tetrahedra that share  a cornercorner with one Dy(1)S6 octahedra,  a cornercorner with one Cu(3)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with two equivalent Dy(2)S6 octahedra, and edges with two equivalent Dy(4)S6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third Cu site, Cu(3) is bonded to one S(4), one S(8), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Dy(3)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(2)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra,  an edgeedge with one Dy(3)S6 octahedra, edges with two equivalent Dy(4)S6 octahedra, and  an edgeedge with one Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-61°. In the fourth Cu site, Cu(4) is bonded to one S(4), one S(8), and two equivalent S(2) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Dy(4)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(2)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra,  an edgeedge with one Dy(4)S6 octahedra, edges with two equivalent Dy(3)S6 octahedra, and  an edgeedge with one Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-60°. There are nine inequivalent S sites. In the first S site, S(1) is bonded to one K(2), one Dy(4), two equivalent Dy(3), and two equivalent Cu(3) atoms to form distorted SKDy3Cu2 octahedra that share corners with two equivalent S(6)K2Dy3Cu octahedra, edges with two equivalent S(1)KDy3Cu2 octahedra, and edges with two equivalent S(2)KDy3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the second S site, S(2) is bonded to one K(1), one Dy(3), two equivalent Dy(4), and two equivalent Cu(4) atoms to form distorted SKDy3Cu2 octahedra that share corners with two equivalent S(5)K2Dy3Cu octahedra, edges with two equivalent S(1)KDy3Cu2 octahedra, and edges with two equivalent S(2)KDy3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. In the third S site, S(3) is bonded in a 6-coordinate geometry to two equivalent K(1), one Dy(2), one Dy(4), and two equivalent Cu(2) atoms. In the fourth S site, S(4) is bonded in a 7-coordinate geometry to two equivalent K(2), two equivalent Dy(3), one Cu(1), one Cu(3), and one Cu(4) atom. In the fifth S site, S(5) is bonded to two equivalent K(1), one Dy(1), two equivalent Dy(2), and one Cu(2) atom to form distorted SK2Dy3Cu octahedra that share corners with two equivalent S(2)KDy3Cu2 octahedra, edges with two equivalent S(5)K2Dy3Cu octahedra, and edges with two equivalent S(6)K2Dy3Cu octahedra. The corner-sharing octahedral tilt angles range from 40-42°. In the sixth S site, S(6) is bonded to two equivalent K(2), one Dy(2), two equivalent Dy(1), and one Cu(1) atom to form distorted SK2Dy3Cu octahedra that share corners with two equivalent S(1)KDy3Cu2 octahedra, edges with two equivalent S(5)K2Dy3Cu octahedra, and edges with two equivalent S(6)K2Dy3Cu octahedra. The corner-sharing octahedral tilt angles range from 41-43°. In the seventh S site, S(7) is bonded in a 6-coordinate geometry to two equivalent K(2), one Dy(1), one Dy(3), and two equivalent Cu(1) atoms. In the eighth S site, S(8) is bonded in a 7-coordinate geometry to two equivalent K(1), two equivalent Dy(4), one Cu(2), one Cu(3), and one Cu(4) atom. In the ninth S site, S(9) is bonded in a square co-planar geometry to two equivalent Dy(1) and two equivalent Dy(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Dy4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.951
_cell_length_b   7.164
_cell_length_c   15.189
_cell_angle_alpha   93.464
_cell_angle_beta   97.351
_cell_angle_gamma   105.967
_symmetry_Int_Tables_number   1
_cell_volume   407.820
_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
  K  K0  1  0.744  0.709  0.768  1.0
  K  K1  1  0.259  0.283  0.229  1.0
  Dy  Dy2  1  0.400  0.743  0.055  1.0
  Dy  Dy3  1  0.603  0.254  0.945  1.0
  Dy  Dy4  1  0.628  0.862  0.396  1.0
  Dy  Dy5  1  0.368  0.139  0.605  1.0
  Cu  Cu6  1  0.987  0.736  0.229  1.0
  Cu  Cu7  1  0.022  0.262  0.772  1.0
  Cu  Cu8  1  0.884  0.322  0.461  1.0
  Cu  Cu9  1  0.108  0.680  0.539  1.0
  S  S10  1  0.283  0.150  0.425  1.0
  S  S11  1  0.711  0.850  0.576  1.0
  S  S12  1  0.432  0.079  0.778  1.0
  S  S13  1  0.983  0.593  0.374  1.0
  S  S14  1  0.200  0.495  0.897  1.0
  S  S15  1  0.801  0.502  0.104  1.0
  S  S16  1  0.571  0.921  0.222  1.0
  S  S17  1  0.013  0.409  0.627  1.0
  S  S18  1  0.001  0.997  1.000  1.0
[/CIF]
.