The structure described by Cr2Zn3Al4O12 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(4), one O(6), two equivalent O(7), and two equivalent O(9) atoms to form CrO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(5) and four equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(1) and four equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(5), and two equivalent O(7) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the second Zn site, Zn(2) is bonded to one O(1), one O(6), and two equivalent O(8) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the third Zn site, Zn(3) is bonded to one O(2), one O(4), and two equivalent O(9) atoms to form ZnO4 tetrahedra that share corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, and corners with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(3), two equivalent O(8), and two equivalent O(9) atoms to form AlO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form AlO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. In the third Al site, Al(3) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Cr(3), one Zn(2), and two equivalent Al(2) atoms. In the second O site, O(2) is bonded to one Zn(3), one Al(1), and two equivalent Al(2) atoms to form distorted OAl3Zn trigonal pyramids that share  a cornercorner with one O(3)Al3Zn trigonal pyramid and corners with three equivalent O(4)Al2ZnCr trigonal pyramids. In the third O site, O(3) is bonded to one Zn(1), one Al(1), and two equivalent Al(3) atoms to form distorted corner-sharing OAl3Zn trigonal pyramids. In the fourth O site, O(4) is bonded to one Cr(1), one Zn(3), and two equivalent Al(2) atoms to form distorted corner-sharing OAl2ZnCr trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Zn(1), and two equivalent Al(2) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), one Zn(2), and two equivalent Al(3) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(3), one Zn(1), and one Al(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), one Zn(2), one Al(1), and one Al(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), one Zn(3), one Al(1), and one Al(3) atom. is represented by the CIF file [CIF]
data_Al4Zn3Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.138
_cell_length_b   10.138
_cell_length_c   8.280
_cell_angle_alpha   66.505
_cell_angle_beta   66.505
_cell_angle_gamma   33.329
_symmetry_Int_Tables_number   1
_cell_volume   425.176
_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
  Al  Al0  1  0.667  0.667  0.833  1.0
  Al  Al1  1  0.333  0.333  0.167  1.0
  Al  Al2  1  0.167  0.665  0.333  1.0
  Al  Al3  1  0.833  0.335  0.667  1.0
  Al  Al4  1  0.500  0.000  0.000  1.0
  Al  Al5  1  0.665  0.167  0.333  1.0
  Al  Al6  1  0.335  0.833  0.667  1.0
  Al  Al7  1  0.000  0.500  0.000  1.0
  Zn  Zn8  1  0.416  0.416  0.712  1.0
  Zn  Zn9  1  0.083  0.083  0.041  1.0
  Zn  Zn10  1  0.749  0.749  0.376  1.0
  Zn  Zn11  1  0.917  0.917  0.959  1.0
  Zn  Zn12  1  0.584  0.584  0.288  1.0
  Zn  Zn13  1  0.251  0.251  0.624  1.0
  Cr  Cr14  1  0.832  0.832  0.667  1.0
  Cr  Cr15  1  0.500  0.500  0.000  1.0
  Cr  Cr16  1  0.168  0.168  0.333  1.0
  Cr  Cr17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.989  0.989  0.267  1.0
  O  O19  1  0.658  0.658  0.608  1.0
  O  O20  1  0.324  0.324  0.940  1.0
  O  O21  1  0.844  0.844  0.413  1.0
  O  O22  1  0.511  0.511  0.746  1.0
  O  O23  1  0.178  0.178  0.080  1.0
  O  O24  1  0.683  0.149  0.564  1.0
  O  O25  1  0.362  0.811  0.897  1.0
  O  O26  1  0.027  0.479  0.230  1.0
  O  O27  1  0.149  0.683  0.564  1.0
  O  O28  1  0.811  0.362  0.897  1.0
  O  O29  1  0.479  0.027  0.230  1.0
  O  O30  1  0.342  0.342  0.392  1.0
  O  O31  1  0.011  0.011  0.733  1.0
  O  O32  1  0.676  0.676  0.060  1.0
  O  O33  1  0.489  0.489  0.254  1.0
  O  O34  1  0.156  0.156  0.587  1.0
  O  O35  1  0.822  0.822  0.920  1.0
  O  O36  1  0.638  0.189  0.103  1.0
  O  O37  1  0.317  0.851  0.436  1.0
  O  O38  1  0.973  0.521  0.770  1.0
  O  O39  1  0.189  0.638  0.103  1.0
  O  O40  1  0.851  0.317  0.436  1.0
  O  O41  1  0.521  0.973  0.770  1.0
[/CIF]
.
The structure described by Cr2Zn3Al4O12 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(4), one O(6), two equivalent O(7), and two equivalent O(9) atoms to form CrO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(5) and four equivalent O(8) atoms to form CrO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent Zn(2)O4 tetrahedra, edges with two equivalent Al(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. In the third Cr site, Cr(3) is bonded to two equivalent O(1) and four equivalent O(7) atoms to form CrO6 octahedra that share corners with two equivalent Zn(2)O4 tetrahedra, corners with four equivalent Zn(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(5), and two equivalent O(7) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(3)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. In the second Zn site, Zn(2) is bonded to one O(1), one O(6), and two equivalent O(8) atoms to form ZnO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(3)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. In the third Zn site, Zn(3) is bonded to one O(2), one O(4), and two equivalent O(9) atoms to form ZnO4 tetrahedra that share corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, and corners with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(3), two equivalent O(8), and two equivalent O(9) atoms to form AlO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. In the second Al site, Al(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form AlO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Cr(3)O6 octahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. In the third Al site, Al(3) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(9) atoms to form AlO6 octahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Al(1)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Cr(3), one Zn(2), and two equivalent Al(2) atoms. In the second O site, O(2) is bonded to one Zn(3), one Al(1), and two equivalent Al(2) atoms to form distorted OAl3Zn trigonal pyramids that share  a cornercorner with one O(3)Al3Zn trigonal pyramid and corners with three equivalent O(4)Al2ZnCr trigonal pyramids. In the third O site, O(3) is bonded to one Zn(1), one Al(1), and two equivalent Al(3) atoms to form distorted corner-sharing OAl3Zn trigonal pyramids. In the fourth O site, O(4) is bonded to one Cr(1), one Zn(3), and two equivalent Al(2) atoms to form distorted corner-sharing OAl2ZnCr trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Cr(2), one Zn(1), and two equivalent Al(2) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), one Zn(2), and two equivalent Al(3) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Cr(1), one Cr(3), one Zn(1), and one Al(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), one Zn(2), one Al(1), and one Al(2) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), one Zn(3), one Al(1), and one Al(3) atom. is represented by the CIF file [CIF]
data_Al4Zn3Cr2O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.138
_cell_length_b   10.138
_cell_length_c   8.280
_cell_angle_alpha   66.505
_cell_angle_beta   66.505
_cell_angle_gamma   33.329
_symmetry_Int_Tables_number   1
_cell_volume   425.176
_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
  Al  Al0  1  0.667  0.667  0.833  1.0
  Al  Al1  1  0.333  0.333  0.167  1.0
  Al  Al2  1  0.167  0.665  0.333  1.0
  Al  Al3  1  0.833  0.335  0.667  1.0
  Al  Al4  1  0.500  0.000  0.000  1.0
  Al  Al5  1  0.665  0.167  0.333  1.0
  Al  Al6  1  0.335  0.833  0.667  1.0
  Al  Al7  1  0.000  0.500  0.000  1.0
  Zn  Zn8  1  0.416  0.416  0.712  1.0
  Zn  Zn9  1  0.083  0.083  0.041  1.0
  Zn  Zn10  1  0.749  0.749  0.376  1.0
  Zn  Zn11  1  0.917  0.917  0.959  1.0
  Zn  Zn12  1  0.584  0.584  0.288  1.0
  Zn  Zn13  1  0.251  0.251  0.624  1.0
  Cr  Cr14  1  0.832  0.832  0.667  1.0
  Cr  Cr15  1  0.500  0.500  0.000  1.0
  Cr  Cr16  1  0.168  0.168  0.333  1.0
  Cr  Cr17  1  0.000  0.000  0.500  1.0
  O  O18  1  0.989  0.989  0.267  1.0
  O  O19  1  0.658  0.658  0.608  1.0
  O  O20  1  0.324  0.324  0.940  1.0
  O  O21  1  0.844  0.844  0.413  1.0
  O  O22  1  0.511  0.511  0.746  1.0
  O  O23  1  0.178  0.178  0.080  1.0
  O  O24  1  0.683  0.149  0.564  1.0
  O  O25  1  0.362  0.811  0.897  1.0
  O  O26  1  0.027  0.479  0.230  1.0
  O  O27  1  0.149  0.683  0.564  1.0
  O  O28  1  0.811  0.362  0.897  1.0
  O  O29  1  0.479  0.027  0.230  1.0
  O  O30  1  0.342  0.342  0.392  1.0
  O  O31  1  0.011  0.011  0.733  1.0
  O  O32  1  0.676  0.676  0.060  1.0
  O  O33  1  0.489  0.489  0.254  1.0
  O  O34  1  0.156  0.156  0.587  1.0
  O  O35  1  0.822  0.822  0.920  1.0
  O  O36  1  0.638  0.189  0.103  1.0
  O  O37  1  0.317  0.851  0.436  1.0
  O  O38  1  0.973  0.521  0.770  1.0
  O  O39  1  0.189  0.638  0.103  1.0
  O  O40  1  0.851  0.317  0.436  1.0
  O  O41  1  0.521  0.973  0.770  1.0
[/CIF]
.