The structure described by U6Cu2S13 crystallizes in the monoclinic C2/c space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), one S(6), and two equivalent S(7) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(6), one S(7), two equivalent S(2), and two equivalent S(5) atoms. In the third U site, U(3) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(4), one S(5), one S(6), one S(7), and two equivalent S(3) atoms. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one S(3), one S(4), and one S(6) atom. There are seven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent U(3) atoms to form corner-sharing SU6 octahedra. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one U(1), one U(3), and two equivalent U(2) atoms. In the third S site, S(3) is bonded to one U(1), two equivalent U(3), and one Cu(1) atom to form distorted SU3Cu tetrahedra that share corners with three equivalent S(1)U6 octahedra,  an edgeedge with one S(3)U3Cu tetrahedra, and edges with two equivalent S(6)U3Cu tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one U(1), one U(2), one U(3), and one Cu(1) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one U(1), one U(3), and two equivalent U(2) atoms. In the sixth S site, S(6) is bonded to one U(1), one U(2), one U(3), and one Cu(1) atom to form distorted SU3Cu tetrahedra that share corners with three equivalent S(1)U6 octahedra and edges with two equivalent S(3)U3Cu tetrahedra. The corner-sharing octahedral tilt angles range from 40-45°. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one U(2), one U(3), and two equivalent U(1) atoms. is represented by the CIF card [CIF]
data_U6Cu2S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.030
_cell_length_b   8.030
_cell_length_c   14.231
_cell_angle_alpha   81.250
_cell_angle_beta   81.250
_cell_angle_gamma   100.227
_symmetry_Int_Tables_number   1
_cell_volume   877.248
_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
  U  U0  1  0.177  0.165  0.642  1.0
  U  U1  1  0.835  0.823  0.858  1.0
  U  U2  1  0.823  0.835  0.358  1.0
  U  U3  1  0.165  0.177  0.142  1.0
  U  U4  1  0.509  0.843  0.643  1.0
  U  U5  1  0.157  0.491  0.857  1.0
  U  U6  1  0.491  0.157  0.357  1.0
  U  U7  1  0.843  0.509  0.143  1.0
  U  U8  1  0.332  0.986  0.890  1.0
  U  U9  1  0.014  0.668  0.610  1.0
  U  U10  1  0.668  0.014  0.110  1.0
  U  U11  1  0.986  0.332  0.390  1.0
  Cu  Cu12  1  0.614  0.327  0.871  1.0
  Cu  Cu13  1  0.673  0.386  0.629  1.0
  Cu  Cu14  1  0.386  0.673  0.129  1.0
  Cu  Cu15  1  0.327  0.614  0.371  1.0
  S  S16  1  0.172  0.828  0.750  1.0
  S  S17  1  0.828  0.172  0.250  1.0
  S  S18  1  0.289  0.938  0.526  1.0
  S  S19  1  0.062  0.711  0.974  1.0
  S  S20  1  0.711  0.062  0.474  1.0
  S  S21  1  0.938  0.289  0.026  1.0
  S  S22  1  0.670  0.066  0.914  1.0
  S  S23  1  0.934  0.330  0.586  1.0
  S  S24  1  0.330  0.934  0.086  1.0
  S  S25  1  0.066  0.670  0.414  1.0
  S  S26  1  0.486  0.154  0.703  1.0
  S  S27  1  0.846  0.514  0.797  1.0
  S  S28  1  0.514  0.846  0.297  1.0
  S  S29  1  0.154  0.486  0.203  1.0
  S  S30  1  0.489  0.722  0.835  1.0
  S  S31  1  0.278  0.511  0.665  1.0
  S  S32  1  0.312  0.352  0.453  1.0
  S  S33  1  0.648  0.688  0.047  1.0
  S  S34  1  0.688  0.648  0.547  1.0
  S  S35  1  0.352  0.312  0.953  1.0
  S  S36  1  0.931  0.857  0.167  1.0
  S  S37  1  0.143  0.069  0.333  1.0
  S  S38  1  0.069  0.143  0.833  1.0
  S  S39  1  0.857  0.931  0.667  1.0
  S  S40  1  0.722  0.489  0.335  1.0
  S  S41  1  0.511  0.278  0.165  1.0
[/CIF]
.
The structure described by U6Cu2S13 crystallizes in the monoclinic C2/c space group. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(3), one S(4), one S(5), one S(6), and two equivalent S(7) atoms. In the second U site, U(2) is bonded in a 8-coordinate geometry to one S(1), one S(4), one S(6), one S(7), two equivalent S(2), and two equivalent S(5) atoms. In the third U site, U(3) is bonded in a 8-coordinate geometry to one S(1), one S(2), one S(4), one S(5), one S(6), one S(7), and two equivalent S(3) atoms. Cu(1) is bonded in a distorted trigonal non-coplanar geometry to one S(3), one S(4), and one S(6) atom. There are seven inequivalent S sites. In the first S site, S(1) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent U(3) atoms to form corner-sharing SU6 octahedra. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one U(1), one U(3), and two equivalent U(2) atoms. In the third S site, S(3) is bonded to one U(1), two equivalent U(3), and one Cu(1) atom to form distorted SU3Cu tetrahedra that share corners with three equivalent S(1)U6 octahedra,  an edgeedge with one S(3)U3Cu tetrahedra, and edges with two equivalent S(6)U3Cu tetrahedra. The corner-sharing octahedral tilt angles range from 40-47°. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one U(1), one U(2), one U(3), and one Cu(1) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one U(1), one U(3), and two equivalent U(2) atoms. In the sixth S site, S(6) is bonded to one U(1), one U(2), one U(3), and one Cu(1) atom to form distorted SU3Cu tetrahedra that share corners with three equivalent S(1)U6 octahedra and edges with two equivalent S(3)U3Cu tetrahedra. The corner-sharing octahedral tilt angles range from 40-45°. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one U(2), one U(3), and two equivalent U(1) atoms. is represented by the CIF card [CIF]
data_U6Cu2S13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.030
_cell_length_b   8.030
_cell_length_c   14.231
_cell_angle_alpha   81.250
_cell_angle_beta   81.250
_cell_angle_gamma   100.227
_symmetry_Int_Tables_number   1
_cell_volume   877.248
_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
  U  U0  1  0.177  0.165  0.642  1.0
  U  U1  1  0.835  0.823  0.858  1.0
  U  U2  1  0.823  0.835  0.358  1.0
  U  U3  1  0.165  0.177  0.142  1.0
  U  U4  1  0.509  0.843  0.643  1.0
  U  U5  1  0.157  0.491  0.857  1.0
  U  U6  1  0.491  0.157  0.357  1.0
  U  U7  1  0.843  0.509  0.143  1.0
  U  U8  1  0.332  0.986  0.890  1.0
  U  U9  1  0.014  0.668  0.610  1.0
  U  U10  1  0.668  0.014  0.110  1.0
  U  U11  1  0.986  0.332  0.390  1.0
  Cu  Cu12  1  0.614  0.327  0.871  1.0
  Cu  Cu13  1  0.673  0.386  0.629  1.0
  Cu  Cu14  1  0.386  0.673  0.129  1.0
  Cu  Cu15  1  0.327  0.614  0.371  1.0
  S  S16  1  0.172  0.828  0.750  1.0
  S  S17  1  0.828  0.172  0.250  1.0
  S  S18  1  0.289  0.938  0.526  1.0
  S  S19  1  0.062  0.711  0.974  1.0
  S  S20  1  0.711  0.062  0.474  1.0
  S  S21  1  0.938  0.289  0.026  1.0
  S  S22  1  0.670  0.066  0.914  1.0
  S  S23  1  0.934  0.330  0.586  1.0
  S  S24  1  0.330  0.934  0.086  1.0
  S  S25  1  0.066  0.670  0.414  1.0
  S  S26  1  0.486  0.154  0.703  1.0
  S  S27  1  0.846  0.514  0.797  1.0
  S  S28  1  0.514  0.846  0.297  1.0
  S  S29  1  0.154  0.486  0.203  1.0
  S  S30  1  0.489  0.722  0.835  1.0
  S  S31  1  0.278  0.511  0.665  1.0
  S  S32  1  0.312  0.352  0.453  1.0
  S  S33  1  0.648  0.688  0.047  1.0
  S  S34  1  0.688  0.648  0.547  1.0
  S  S35  1  0.352  0.312  0.953  1.0
  S  S36  1  0.931  0.857  0.167  1.0
  S  S37  1  0.143  0.069  0.333  1.0
  S  S38  1  0.069  0.143  0.833  1.0
  S  S39  1  0.857  0.931  0.667  1.0
  S  S40  1  0.722  0.489  0.335  1.0
  S  S41  1  0.511  0.278  0.165  1.0
[/CIF]
.