The material structure described by U8CrS17 crystallizes in the triclinic P-1 space group. There are four 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(5), one S(6), one S(7), one S(8), and one S(9) atom. In the second U site, U(2) 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), one S(8), and one S(9) atom. In the third U site, U(3) is bonded in a 8-coordinate geometry to one S(5), one S(6), one S(7), one S(9), two equivalent S(1), and two equivalent S(2) atoms. In the fourth U site, U(4) is bonded in a 8-coordinate geometry to one S(5), one S(7), two equivalent S(3), two equivalent S(4), and two equivalent S(8) atoms. Cr(1) is bonded in an octahedral geometry to two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one U(1), one U(2), and two equivalent U(3) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one U(1), one U(2), and two equivalent U(3) atoms. In the third S site, S(3) is bonded to one U(1), two equivalent U(4), and one Cr(1) atom to form distorted SU3Cr tetrahedra that share  a cornercorner with one S(9)U6 octahedra,  a cornercorner with one S(3)U3Cr tetrahedra, corners with four equivalent S(4)U3Cr tetrahedra,  a cornercorner with one S(6)U3Cr trigonal pyramid, corners with three equivalent S(8)U4 trigonal pyramids,  an edgeedge with one S(3)U3Cr tetrahedra,  an edgeedge with one S(4)U3Cr tetrahedra,  an edgeedge with one S(6)U3Cr trigonal pyramid, and  an edgeedge with one S(8)U4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fourth S site, S(4) is bonded to one U(2), two equivalent U(4), and one Cr(1) atom to form distorted SU3Cr tetrahedra that share  a cornercorner with one S(9)U6 octahedra,  a cornercorner with one S(4)U3Cr tetrahedra, corners with four equivalent S(3)U3Cr tetrahedra,  a cornercorner with one S(6)U3Cr trigonal pyramid, corners with three equivalent S(8)U4 trigonal pyramids,  an edgeedge with one S(3)U3Cr tetrahedra,  an edgeedge with one S(4)U3Cr tetrahedra,  an edgeedge with one S(6)U3Cr trigonal pyramid, and  an edgeedge with one S(8)U4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one U(1), one U(2), one U(3), and one U(4) atom. In the sixth S site, S(6) is bonded to one U(1), one U(2), one U(3), and one Cr(1) atom to form distorted SU3Cr trigonal pyramids that share  a cornercorner with one S(3)U3Cr tetrahedra,  a cornercorner with one S(4)U3Cr tetrahedra,  a cornercorner with one S(6)U3Cr trigonal pyramid, corners with two equivalent S(8)U4 trigonal pyramids,  an edgeedge with one S(3)U3Cr tetrahedra,  an edgeedge with one S(4)U3Cr tetrahedra, and  a faceface with one S(9)U6 octahedra. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one U(1), one U(2), one U(3), and one U(4) atom. In the eighth S site, S(8) is bonded to one U(1), one U(2), and two equivalent U(4) atoms to form SU4 trigonal pyramids that share corners with two equivalent S(9)U6 octahedra, corners with three equivalent S(3)U3Cr tetrahedra, corners with three equivalent S(4)U3Cr tetrahedra, corners with two equivalent S(6)U3Cr trigonal pyramids,  an edgeedge with one S(3)U3Cr tetrahedra,  an edgeedge with one S(4)U3Cr tetrahedra, and  an edgeedge with one S(8)U4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-38°. In the ninth S site, S(9) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent U(3) atoms to form SU6 octahedra that share corners with two equivalent S(3)U3Cr tetrahedra, corners with two equivalent S(4)U3Cr tetrahedra, corners with four equivalent S(8)U4 trigonal pyramids, and faces with two equivalent S(6)U3Cr trigonal pyramids. is represented by the CIF card [CIF]
data_U8CrS17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.895
_cell_length_b   7.877
_cell_length_c   10.478
_cell_angle_alpha   80.662
_cell_angle_beta   80.458
_cell_angle_gamma   64.816
_symmetry_Int_Tables_number   1
_cell_volume   578.474
_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
  U  U0  1  0.816  0.301  0.299  1.0
  U  U1  1  0.698  0.184  0.704  1.0
  U  U2  1  0.184  0.699  0.701  1.0
  U  U3  1  0.302  0.816  0.296  1.0
  U  U4  1  0.206  0.206  0.545  1.0
  U  U5  1  0.794  0.793  0.455  1.0
  U  U6  1  0.680  0.679  0.979  1.0
  U  U7  1  0.320  0.322  0.021  1.0
  Cr  Cr8  1  1.000  0.000  0.000  1.0
  S  S9  1  0.823  0.432  0.534  1.0
  S  S10  1  0.569  0.176  0.466  1.0
  S  S11  1  0.177  0.567  0.466  1.0
  S  S12  1  0.431  0.824  0.533  1.0
  S  S13  1  0.944  0.321  0.029  1.0
  S  S14  1  0.679  0.056  0.974  1.0
  S  S15  1  0.055  0.679  0.971  1.0
  S  S16  1  0.321  0.944  0.027  1.0
  S  S17  1  0.212  0.207  0.280  1.0
  S  S18  1  0.787  0.793  0.720  1.0
  S  S19  1  0.053  0.058  0.774  1.0
  S  S20  1  0.946  0.942  0.226  1.0
  S  S21  1  0.304  0.299  0.757  1.0
  S  S22  1  0.696  0.700  0.243  1.0
  S  S23  1  0.524  0.519  0.830  1.0
  S  S24  1  0.477  0.480  0.170  1.0
  S  S25  1  0.000  1.000  0.500  1.0
[/CIF]
.
The material structure described by U8CrS17 crystallizes in the triclinic P-1 space group. There are four 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(5), one S(6), one S(7), one S(8), and one S(9) atom. In the second U site, U(2) 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), one S(8), and one S(9) atom. In the third U site, U(3) is bonded in a 8-coordinate geometry to one S(5), one S(6), one S(7), one S(9), two equivalent S(1), and two equivalent S(2) atoms. In the fourth U site, U(4) is bonded in a 8-coordinate geometry to one S(5), one S(7), two equivalent S(3), two equivalent S(4), and two equivalent S(8) atoms. Cr(1) is bonded in an octahedral geometry to two equivalent S(3), two equivalent S(4), and two equivalent S(6) atoms. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one U(1), one U(2), and two equivalent U(3) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one U(1), one U(2), and two equivalent U(3) atoms. In the third S site, S(3) is bonded to one U(1), two equivalent U(4), and one Cr(1) atom to form distorted SU3Cr tetrahedra that share  a cornercorner with one S(9)U6 octahedra,  a cornercorner with one S(3)U3Cr tetrahedra, corners with four equivalent S(4)U3Cr tetrahedra,  a cornercorner with one S(6)U3Cr trigonal pyramid, corners with three equivalent S(8)U4 trigonal pyramids,  an edgeedge with one S(3)U3Cr tetrahedra,  an edgeedge with one S(4)U3Cr tetrahedra,  an edgeedge with one S(6)U3Cr trigonal pyramid, and  an edgeedge with one S(8)U4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fourth S site, S(4) is bonded to one U(2), two equivalent U(4), and one Cr(1) atom to form distorted SU3Cr tetrahedra that share  a cornercorner with one S(9)U6 octahedra,  a cornercorner with one S(4)U3Cr tetrahedra, corners with four equivalent S(3)U3Cr tetrahedra,  a cornercorner with one S(6)U3Cr trigonal pyramid, corners with three equivalent S(8)U4 trigonal pyramids,  an edgeedge with one S(3)U3Cr tetrahedra,  an edgeedge with one S(4)U3Cr tetrahedra,  an edgeedge with one S(6)U3Cr trigonal pyramid, and  an edgeedge with one S(8)U4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to one U(1), one U(2), one U(3), and one U(4) atom. In the sixth S site, S(6) is bonded to one U(1), one U(2), one U(3), and one Cr(1) atom to form distorted SU3Cr trigonal pyramids that share  a cornercorner with one S(3)U3Cr tetrahedra,  a cornercorner with one S(4)U3Cr tetrahedra,  a cornercorner with one S(6)U3Cr trigonal pyramid, corners with two equivalent S(8)U4 trigonal pyramids,  an edgeedge with one S(3)U3Cr tetrahedra,  an edgeedge with one S(4)U3Cr tetrahedra, and  a faceface with one S(9)U6 octahedra. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one U(1), one U(2), one U(3), and one U(4) atom. In the eighth S site, S(8) is bonded to one U(1), one U(2), and two equivalent U(4) atoms to form SU4 trigonal pyramids that share corners with two equivalent S(9)U6 octahedra, corners with three equivalent S(3)U3Cr tetrahedra, corners with three equivalent S(4)U3Cr tetrahedra, corners with two equivalent S(6)U3Cr trigonal pyramids,  an edgeedge with one S(3)U3Cr tetrahedra,  an edgeedge with one S(4)U3Cr tetrahedra, and  an edgeedge with one S(8)U4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 37-38°. In the ninth S site, S(9) is bonded to two equivalent U(1), two equivalent U(2), and two equivalent U(3) atoms to form SU6 octahedra that share corners with two equivalent S(3)U3Cr tetrahedra, corners with two equivalent S(4)U3Cr tetrahedra, corners with four equivalent S(8)U4 trigonal pyramids, and faces with two equivalent S(6)U3Cr trigonal pyramids. is represented by the CIF card [CIF]
data_U8CrS17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.895
_cell_length_b   7.877
_cell_length_c   10.478
_cell_angle_alpha   80.662
_cell_angle_beta   80.458
_cell_angle_gamma   64.816
_symmetry_Int_Tables_number   1
_cell_volume   578.474
_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
  U  U0  1  0.816  0.301  0.299  1.0
  U  U1  1  0.698  0.184  0.704  1.0
  U  U2  1  0.184  0.699  0.701  1.0
  U  U3  1  0.302  0.816  0.296  1.0
  U  U4  1  0.206  0.206  0.545  1.0
  U  U5  1  0.794  0.793  0.455  1.0
  U  U6  1  0.680  0.679  0.979  1.0
  U  U7  1  0.320  0.322  0.021  1.0
  Cr  Cr8  1  1.000  0.000  0.000  1.0
  S  S9  1  0.823  0.432  0.534  1.0
  S  S10  1  0.569  0.176  0.466  1.0
  S  S11  1  0.177  0.567  0.466  1.0
  S  S12  1  0.431  0.824  0.533  1.0
  S  S13  1  0.944  0.321  0.029  1.0
  S  S14  1  0.679  0.056  0.974  1.0
  S  S15  1  0.055  0.679  0.971  1.0
  S  S16  1  0.321  0.944  0.027  1.0
  S  S17  1  0.212  0.207  0.280  1.0
  S  S18  1  0.787  0.793  0.720  1.0
  S  S19  1  0.053  0.058  0.774  1.0
  S  S20  1  0.946  0.942  0.226  1.0
  S  S21  1  0.304  0.299  0.757  1.0
  S  S22  1  0.696  0.700  0.243  1.0
  S  S23  1  0.524  0.519  0.830  1.0
  S  S24  1  0.477  0.480  0.170  1.0
  S  S25  1  0.000  1.000  0.500  1.0
[/CIF]
.