The crystal structure described by Cr8FeZn3S16 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 Fe(1)S4 tetrahedra, corners with three equivalent Zn(3)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 Zn(1)S4 tetrahedra, corners with three equivalent Zn(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 Zn(1)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra, corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Zn(2)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 Fe(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with two equivalent Zn(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. Fe(1) is bonded to one S(2) and three equivalent S(3) atoms to form FeS4 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 are 57°. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(1) and three equivalent S(4) atoms to form ZnS4 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 are 58°. In the second Zn site, Zn(2) is bonded to one S(6) and three equivalent S(7) atoms to form ZnS4 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 58-59°. In the third Zn site, Zn(3) is bonded to one S(5) and three equivalent S(8) atoms to form ZnS4 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 58-59°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(3) and one Zn(1) atom to form distorted corner-sharing SZnCr3 trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Cr(4) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing SCr3Fe trigonal pyramids. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Fe(1) atom. In the fourth S site, S(4) is bonded to one Cr(2), two equivalent Cr(4), and one Zn(1) atom to form distorted SZnCr3 trigonal pyramids that share  a cornercorner with one S(1)ZnCr3 trigonal pyramid, corners with two equivalent S(4)ZnCr3 trigonal pyramids, corners with two equivalent S(6)ZnCr3 trigonal pyramids, corners with three equivalent S(7)ZnCr3 trigonal pyramids, corners with four equivalent S(8)ZnCr3 trigonal pyramids,  an edgeedge with one S(2)Cr3Fe trigonal pyramid, and edges with two equivalent S(4)ZnCr3 trigonal pyramids. In the fifth S site, S(5) is bonded to three equivalent Cr(3) and one Zn(3) atom to form a mixture of distorted edge and corner-sharing SZnCr3 trigonal pyramids. In the sixth S site, S(6) is bonded to three equivalent Cr(4) and one Zn(2) atom to form distorted SZnCr3 trigonal pyramids that share corners with three equivalent S(2)Cr3Fe trigonal pyramids, corners with three equivalent S(7)ZnCr3 trigonal pyramids, corners with six equivalent S(4)ZnCr3 trigonal pyramids, and edges with three equivalent S(8)ZnCr3 trigonal pyramids. In the seventh S site, S(7) is bonded to one Cr(2), two equivalent Cr(3), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing SZnCr3 trigonal pyramids. In the eighth S site, S(8) is bonded to one Cr(1), two equivalent Cr(4), and one Zn(3) atom to form distorted SZnCr3 trigonal pyramids that share  a cornercorner with one S(5)ZnCr3 trigonal pyramid, corners with two equivalent S(2)Cr3Fe trigonal pyramids, corners with two equivalent S(8)ZnCr3 trigonal pyramids, corners with four equivalent S(4)ZnCr3 trigonal pyramids,  an edgeedge with one S(6)ZnCr3 trigonal pyramid, and edges with two equivalent S(8)ZnCr3 trigonal pyramids. is represented by the CIF card [CIF]
data_Zn3Cr8FeS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.265
_cell_length_b   12.265
_cell_length_c   12.265
_cell_angle_alpha   33.580
_cell_angle_beta   33.580
_cell_angle_gamma   33.580
_symmetry_Int_Tables_number   1
_cell_volume   502.826
_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
  Zn  Zn0  1  0.187  0.187  0.187  1.0
  Zn  Zn1  1  0.812  0.812  0.812  1.0
  Zn  Zn2  1  0.313  0.313  0.313  1.0
  Cr  Cr3  1  0.001  0.001  0.001  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.751  0.249  0.249  1.0
  Cr  Cr6  1  0.251  0.750  0.750  1.0
  Cr  Cr7  1  0.249  0.751  0.249  1.0
  Cr  Cr8  1  0.750  0.251  0.750  1.0
  Cr  Cr9  1  0.249  0.249  0.751  1.0
  Cr  Cr10  1  0.750  0.750  0.251  1.0
  Fe  Fe11  1  0.688  0.688  0.688  1.0
  S  S12  1  0.120  0.120  0.120  1.0
  S  S13  1  0.621  0.621  0.621  1.0
  S  S14  1  0.355  0.887  0.887  1.0
  S  S15  1  0.849  0.391  0.391  1.0
  S  S16  1  0.887  0.355  0.887  1.0
  S  S17  1  0.391  0.849  0.391  1.0
  S  S18  1  0.887  0.887  0.355  1.0
  S  S19  1  0.391  0.391  0.849  1.0
  S  S20  1  0.380  0.380  0.380  1.0
  S  S21  1  0.880  0.880  0.880  1.0
  S  S22  1  0.151  0.609  0.609  1.0
  S  S23  1  0.652  0.109  0.109  1.0
  S  S24  1  0.609  0.151  0.609  1.0
  S  S25  1  0.109  0.652  0.109  1.0
  S  S26  1  0.609  0.609  0.151  1.0
  S  S27  1  0.109  0.109  0.652  1.0
[/CIF]
.
The crystal structure described by Cr8FeZn3S16 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 Fe(1)S4 tetrahedra, corners with three equivalent Zn(3)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 Zn(1)S4 tetrahedra, corners with three equivalent Zn(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 Zn(1)S4 tetrahedra,  a cornercorner with one Zn(3)S4 tetrahedra, corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Zn(2)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 Fe(1)S4 tetrahedra,  a cornercorner with one Zn(2)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, corners with two equivalent Zn(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. Fe(1) is bonded to one S(2) and three equivalent S(3) atoms to form FeS4 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 are 57°. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one S(1) and three equivalent S(4) atoms to form ZnS4 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 are 58°. In the second Zn site, Zn(2) is bonded to one S(6) and three equivalent S(7) atoms to form ZnS4 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 58-59°. In the third Zn site, Zn(3) is bonded to one S(5) and three equivalent S(8) atoms to form ZnS4 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 58-59°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(3) and one Zn(1) atom to form distorted corner-sharing SZnCr3 trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Cr(4) and one Fe(1) atom to form a mixture of distorted edge and corner-sharing SCr3Fe trigonal pyramids. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Fe(1) atom. In the fourth S site, S(4) is bonded to one Cr(2), two equivalent Cr(4), and one Zn(1) atom to form distorted SZnCr3 trigonal pyramids that share  a cornercorner with one S(1)ZnCr3 trigonal pyramid, corners with two equivalent S(4)ZnCr3 trigonal pyramids, corners with two equivalent S(6)ZnCr3 trigonal pyramids, corners with three equivalent S(7)ZnCr3 trigonal pyramids, corners with four equivalent S(8)ZnCr3 trigonal pyramids,  an edgeedge with one S(2)Cr3Fe trigonal pyramid, and edges with two equivalent S(4)ZnCr3 trigonal pyramids. In the fifth S site, S(5) is bonded to three equivalent Cr(3) and one Zn(3) atom to form a mixture of distorted edge and corner-sharing SZnCr3 trigonal pyramids. In the sixth S site, S(6) is bonded to three equivalent Cr(4) and one Zn(2) atom to form distorted SZnCr3 trigonal pyramids that share corners with three equivalent S(2)Cr3Fe trigonal pyramids, corners with three equivalent S(7)ZnCr3 trigonal pyramids, corners with six equivalent S(4)ZnCr3 trigonal pyramids, and edges with three equivalent S(8)ZnCr3 trigonal pyramids. In the seventh S site, S(7) is bonded to one Cr(2), two equivalent Cr(3), and one Zn(2) atom to form a mixture of distorted edge and corner-sharing SZnCr3 trigonal pyramids. In the eighth S site, S(8) is bonded to one Cr(1), two equivalent Cr(4), and one Zn(3) atom to form distorted SZnCr3 trigonal pyramids that share  a cornercorner with one S(5)ZnCr3 trigonal pyramid, corners with two equivalent S(2)Cr3Fe trigonal pyramids, corners with two equivalent S(8)ZnCr3 trigonal pyramids, corners with four equivalent S(4)ZnCr3 trigonal pyramids,  an edgeedge with one S(6)ZnCr3 trigonal pyramid, and edges with two equivalent S(8)ZnCr3 trigonal pyramids. is represented by the CIF card [CIF]
data_Zn3Cr8FeS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.265
_cell_length_b   12.265
_cell_length_c   12.265
_cell_angle_alpha   33.580
_cell_angle_beta   33.580
_cell_angle_gamma   33.580
_symmetry_Int_Tables_number   1
_cell_volume   502.826
_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
  Zn  Zn0  1  0.187  0.187  0.187  1.0
  Zn  Zn1  1  0.812  0.812  0.812  1.0
  Zn  Zn2  1  0.313  0.313  0.313  1.0
  Cr  Cr3  1  0.001  0.001  0.001  1.0
  Cr  Cr4  1  0.500  0.500  0.500  1.0
  Cr  Cr5  1  0.751  0.249  0.249  1.0
  Cr  Cr6  1  0.251  0.750  0.750  1.0
  Cr  Cr7  1  0.249  0.751  0.249  1.0
  Cr  Cr8  1  0.750  0.251  0.750  1.0
  Cr  Cr9  1  0.249  0.249  0.751  1.0
  Cr  Cr10  1  0.750  0.750  0.251  1.0
  Fe  Fe11  1  0.688  0.688  0.688  1.0
  S  S12  1  0.120  0.120  0.120  1.0
  S  S13  1  0.621  0.621  0.621  1.0
  S  S14  1  0.355  0.887  0.887  1.0
  S  S15  1  0.849  0.391  0.391  1.0
  S  S16  1  0.887  0.355  0.887  1.0
  S  S17  1  0.391  0.849  0.391  1.0
  S  S18  1  0.887  0.887  0.355  1.0
  S  S19  1  0.391  0.391  0.849  1.0
  S  S20  1  0.380  0.380  0.380  1.0
  S  S21  1  0.880  0.880  0.880  1.0
  S  S22  1  0.151  0.609  0.609  1.0
  S  S23  1  0.652  0.109  0.109  1.0
  S  S24  1  0.609  0.151  0.609  1.0
  S  S25  1  0.109  0.652  0.109  1.0
  S  S26  1  0.609  0.609  0.151  1.0
  S  S27  1  0.109  0.109  0.652  1.0
[/CIF]
.