The material structure described by Cr8Co3NiS16 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent S(3) and three equivalent S(8) atoms to form CrS6 octahedra that share corners with three equivalent Co(3)S4 tetrahedra, corners with three equivalent Ni(1)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent S(4) and three equivalent S(7) atoms to form CrS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Co(2)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. In the third Cr site, Cr(3) is bonded to one S(1), one S(5), two equivalent S(3), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Co(1)S4 tetrahedra,  a cornercorner with one Co(3)S4 tetrahedra, corners with two equivalent Co(2)S4 tetrahedra, corners with two equivalent Ni(1)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with four equivalent Cr(3)S6 octahedra. In the fourth Cr site, Cr(4) is bonded to one S(2), one S(6), two equivalent S(4), and two equivalent S(8) atoms to form CrS6 octahedra that share  a cornercorner with one Co(2)S4 tetrahedra,  a cornercorner with one Ni(1)S4 tetrahedra, corners with two equivalent Co(1)S4 tetrahedra, corners with two equivalent Co(3)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with four equivalent Cr(4)S6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one S(1) and three equivalent S(4) atoms to form CoS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Co site, Co(2) is bonded to one S(6) and three equivalent S(7) atoms to form CoS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with three equivalent Cr(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the third Co site, Co(3) is bonded to one S(5) and three equivalent S(8) atoms to form CoS4 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. Ni(1) is bonded to one S(2) and three equivalent S(3) atoms to form NiS4 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(3) and one Co(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(4) and one Ni(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Ni(1) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(4), and one Co(1) atom. In the fifth S site, S(5) is bonded in a distorted trigonal pyramidal geometry to three equivalent Cr(3) and one Co(3) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(4) and one Co(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(3), and one Co(2) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(4), and one Co(3) atom. is represented by the CIF file [CIF]
data_Cr8Co3NiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.879
_cell_length_b   11.879
_cell_length_c   11.879
_cell_angle_alpha   33.898
_cell_angle_beta   33.898
_cell_angle_gamma   33.898
_symmetry_Int_Tables_number   1
_cell_volume   464.705
_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
  Cr  Cr0  1  0.001  0.001  0.001  1.0
  Cr  Cr1  1  0.501  0.501  0.501  1.0
  Cr  Cr2  1  0.751  0.249  0.249  1.0
  Cr  Cr3  1  0.251  0.750  0.750  1.0
  Cr  Cr4  1  0.249  0.751  0.249  1.0
  Cr  Cr5  1  0.750  0.251  0.750  1.0
  Cr  Cr6  1  0.249  0.249  0.751  1.0
  Cr  Cr7  1  0.750  0.750  0.251  1.0
  Co  Co8  1  0.188  0.188  0.188  1.0
  Co  Co9  1  0.812  0.812  0.812  1.0
  Co  Co10  1  0.312  0.312  0.312  1.0
  Ni  Ni11  1  0.688  0.688  0.688  1.0
  S  S12  1  0.122  0.122  0.122  1.0
  S  S13  1  0.622  0.622  0.622  1.0
  S  S14  1  0.363  0.882  0.882  1.0
  S  S15  1  0.862  0.383  0.383  1.0
  S  S16  1  0.882  0.363  0.882  1.0
  S  S17  1  0.383  0.862  0.383  1.0
  S  S18  1  0.882  0.882  0.363  1.0
  S  S19  1  0.383  0.383  0.862  1.0
  S  S20  1  0.378  0.378  0.378  1.0
  S  S21  1  0.878  0.878  0.878  1.0
  S  S22  1  0.140  0.616  0.616  1.0
  S  S23  1  0.637  0.118  0.118  1.0
  S  S24  1  0.616  0.140  0.616  1.0
  S  S25  1  0.118  0.637  0.118  1.0
  S  S26  1  0.616  0.616  0.140  1.0
  S  S27  1  0.118  0.118  0.637  1.0
[/CIF]
.
The material structure described by Cr8Co3NiS16 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent S(3) and three equivalent S(8) atoms to form CrS6 octahedra that share corners with three equivalent Co(3)S4 tetrahedra, corners with three equivalent Ni(1)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent S(4) and three equivalent S(7) atoms to form CrS6 octahedra that share corners with three equivalent Co(1)S4 tetrahedra, corners with three equivalent Co(2)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. In the third Cr site, Cr(3) is bonded to one S(1), one S(5), two equivalent S(3), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Co(1)S4 tetrahedra,  a cornercorner with one Co(3)S4 tetrahedra, corners with two equivalent Co(2)S4 tetrahedra, corners with two equivalent Ni(1)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with four equivalent Cr(3)S6 octahedra. In the fourth Cr site, Cr(4) is bonded to one S(2), one S(6), two equivalent S(4), and two equivalent S(8) atoms to form CrS6 octahedra that share  a cornercorner with one Co(2)S4 tetrahedra,  a cornercorner with one Ni(1)S4 tetrahedra, corners with two equivalent Co(1)S4 tetrahedra, corners with two equivalent Co(3)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with four equivalent Cr(4)S6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one S(1) and three equivalent S(4) atoms to form CoS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Co site, Co(2) is bonded to one S(6) and three equivalent S(7) atoms to form CoS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with three equivalent Cr(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the third Co site, Co(3) is bonded to one S(5) and three equivalent S(8) atoms to form CoS4 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. Ni(1) is bonded to one S(2) and three equivalent S(3) atoms to form NiS4 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(3) and one Co(1) atom. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(4) and one Ni(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Ni(1) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(4), and one Co(1) atom. In the fifth S site, S(5) is bonded in a distorted trigonal pyramidal geometry to three equivalent Cr(3) and one Co(3) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(4) and one Co(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(3), and one Co(2) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(4), and one Co(3) atom. is represented by the CIF file [CIF]
data_Cr8Co3NiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.879
_cell_length_b   11.879
_cell_length_c   11.879
_cell_angle_alpha   33.898
_cell_angle_beta   33.898
_cell_angle_gamma   33.898
_symmetry_Int_Tables_number   1
_cell_volume   464.705
_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
  Cr  Cr0  1  0.001  0.001  0.001  1.0
  Cr  Cr1  1  0.501  0.501  0.501  1.0
  Cr  Cr2  1  0.751  0.249  0.249  1.0
  Cr  Cr3  1  0.251  0.750  0.750  1.0
  Cr  Cr4  1  0.249  0.751  0.249  1.0
  Cr  Cr5  1  0.750  0.251  0.750  1.0
  Cr  Cr6  1  0.249  0.249  0.751  1.0
  Cr  Cr7  1  0.750  0.750  0.251  1.0
  Co  Co8  1  0.188  0.188  0.188  1.0
  Co  Co9  1  0.812  0.812  0.812  1.0
  Co  Co10  1  0.312  0.312  0.312  1.0
  Ni  Ni11  1  0.688  0.688  0.688  1.0
  S  S12  1  0.122  0.122  0.122  1.0
  S  S13  1  0.622  0.622  0.622  1.0
  S  S14  1  0.363  0.882  0.882  1.0
  S  S15  1  0.862  0.383  0.383  1.0
  S  S16  1  0.882  0.363  0.882  1.0
  S  S17  1  0.383  0.862  0.383  1.0
  S  S18  1  0.882  0.882  0.363  1.0
  S  S19  1  0.383  0.383  0.862  1.0
  S  S20  1  0.378  0.378  0.378  1.0
  S  S21  1  0.878  0.878  0.878  1.0
  S  S22  1  0.140  0.616  0.616  1.0
  S  S23  1  0.637  0.118  0.118  1.0
  S  S24  1  0.616  0.140  0.616  1.0
  S  S25  1  0.118  0.637  0.118  1.0
  S  S26  1  0.616  0.616  0.140  1.0
  S  S27  1  0.118  0.118  0.637  1.0
[/CIF]
.