The material described by ZnAl10O16 is beta indium sulfide-derived structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one O(8) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra, corners with three equivalent Al(4)O6 octahedra, and corners with six equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form AlO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Al(5)O4 tetrahedra, edges with three equivalent Al(3)O6 octahedra, and edges with three equivalent Al(4)O6 octahedra. In the second Al site, Al(2) is bonded to one O(2) and three equivalent O(3) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the third Al site, Al(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form AlO6 octahedra that share  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with four equivalent Al(3)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(2), one O(8), two equivalent O(5), and two equivalent O(6) atoms to form AlO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, corners with two equivalent Al(5)O4 tetrahedra, corners with two equivalent Al(6)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with four equivalent Al(4)O6 octahedra. In the fifth Al site, Al(5) is bonded to one O(4) and three equivalent O(5) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the sixth Al site, Al(6) is bonded to one O(7) and three equivalent O(6) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1), one Al(1), and two equivalent Al(3) atoms to form distorted OAl3Zn tetrahedra that share corners with two equivalent O(1)Al3Zn tetrahedra, edges with two equivalent O(1)Al3Zn tetrahedra, and  an edgeedge with one O(7)Al4 trigonal pyramid. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Al(2) and three equivalent Al(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Al(2) and two equivalent Al(3) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Al(5) and three equivalent Al(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Al(1), one Al(5), and two equivalent Al(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Al(6) and two equivalent Al(4) atoms. In the seventh O site, O(7) is bonded to one Al(6) and three equivalent Al(3) atoms to form distorted edge-sharing OAl4 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1) and three equivalent Al(4) atoms. is represented by the CIF file [CIF]
data_Al10ZnO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.703
_cell_length_b   9.703
_cell_length_c   9.703
_cell_angle_alpha   34.257
_cell_angle_beta   34.257
_cell_angle_gamma   34.257
_symmetry_Int_Tables_number   1
_cell_volume   258.150
_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
  Al  Al0  1  0.502  0.502  0.502  1.0
  Al  Al1  1  0.308  0.308  0.308  1.0
  Al  Al2  1  0.250  0.755  0.755  1.0
  Al  Al3  1  0.755  0.250  0.755  1.0
  Al  Al4  1  0.241  0.756  0.241  1.0
  Al  Al5  1  0.811  0.811  0.811  1.0
  Al  Al6  1  0.241  0.241  0.756  1.0
  Al  Al7  1  0.755  0.755  0.250  1.0
  Al  Al8  1  0.756  0.241  0.241  1.0
  Al  Al9  1  0.690  0.690  0.690  1.0
  Zn  Zn10  1  0.190  0.190  0.190  1.0
  O  O11  1  0.400  0.400  0.836  1.0
  O  O12  1  0.400  0.836  0.400  1.0
  O  O13  1  0.377  0.377  0.377  1.0
  O  O14  1  0.118  0.623  0.118  1.0
  O  O15  1  0.878  0.878  0.878  1.0
  O  O16  1  0.118  0.118  0.623  1.0
  O  O17  1  0.149  0.612  0.612  1.0
  O  O18  1  0.623  0.118  0.118  1.0
  O  O19  1  0.836  0.400  0.400  1.0
  O  O20  1  0.879  0.879  0.381  1.0
  O  O21  1  0.381  0.879  0.879  1.0
  O  O22  1  0.879  0.381  0.879  1.0
  O  O23  1  0.625  0.625  0.625  1.0
  O  O24  1  0.117  0.117  0.117  1.0
  O  O25  1  0.612  0.149  0.612  1.0
  O  O26  1  0.612  0.612  0.149  1.0
[/CIF]
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The material described by ZnAl10O16 is beta indium sulfide-derived structured and crystallizes in the trigonal R3m space group. Zn(1) is bonded to one O(8) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra, corners with three equivalent Al(4)O6 octahedra, and corners with six equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent O(1) and three equivalent O(5) atoms to form AlO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Al(5)O4 tetrahedra, edges with three equivalent Al(3)O6 octahedra, and edges with three equivalent Al(4)O6 octahedra. In the second Al site, Al(2) is bonded to one O(2) and three equivalent O(3) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the third Al site, Al(3) is bonded to one O(4), one O(7), two equivalent O(1), and two equivalent O(3) atoms to form AlO6 octahedra that share  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with four equivalent Al(3)O6 octahedra. In the fourth Al site, Al(4) is bonded to one O(2), one O(8), two equivalent O(5), and two equivalent O(6) atoms to form AlO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Al(2)O4 tetrahedra, corners with two equivalent Al(5)O4 tetrahedra, corners with two equivalent Al(6)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and edges with four equivalent Al(4)O6 octahedra. In the fifth Al site, Al(5) is bonded to one O(4) and three equivalent O(5) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the sixth Al site, Al(6) is bonded to one O(7) and three equivalent O(6) atoms to form corner-sharing AlO4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Zn(1), one Al(1), and two equivalent Al(3) atoms to form distorted OAl3Zn tetrahedra that share corners with two equivalent O(1)Al3Zn tetrahedra, edges with two equivalent O(1)Al3Zn tetrahedra, and  an edgeedge with one O(7)Al4 trigonal pyramid. In the second O site, O(2) is bonded in a distorted tetrahedral geometry to one Al(2) and three equivalent Al(4) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Al(2) and two equivalent Al(3) atoms. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Al(5) and three equivalent Al(3) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Al(1), one Al(5), and two equivalent Al(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Al(6) and two equivalent Al(4) atoms. In the seventh O site, O(7) is bonded to one Al(6) and three equivalent Al(3) atoms to form distorted edge-sharing OAl4 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1) and three equivalent Al(4) atoms. is represented by the CIF file [CIF]
data_Al10ZnO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.703
_cell_length_b   9.703
_cell_length_c   9.703
_cell_angle_alpha   34.257
_cell_angle_beta   34.257
_cell_angle_gamma   34.257
_symmetry_Int_Tables_number   1
_cell_volume   258.150
_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
  Al  Al0  1  0.502  0.502  0.502  1.0
  Al  Al1  1  0.308  0.308  0.308  1.0
  Al  Al2  1  0.250  0.755  0.755  1.0
  Al  Al3  1  0.755  0.250  0.755  1.0
  Al  Al4  1  0.241  0.756  0.241  1.0
  Al  Al5  1  0.811  0.811  0.811  1.0
  Al  Al6  1  0.241  0.241  0.756  1.0
  Al  Al7  1  0.755  0.755  0.250  1.0
  Al  Al8  1  0.756  0.241  0.241  1.0
  Al  Al9  1  0.690  0.690  0.690  1.0
  Zn  Zn10  1  0.190  0.190  0.190  1.0
  O  O11  1  0.400  0.400  0.836  1.0
  O  O12  1  0.400  0.836  0.400  1.0
  O  O13  1  0.377  0.377  0.377  1.0
  O  O14  1  0.118  0.623  0.118  1.0
  O  O15  1  0.878  0.878  0.878  1.0
  O  O16  1  0.118  0.118  0.623  1.0
  O  O17  1  0.149  0.612  0.612  1.0
  O  O18  1  0.623  0.118  0.118  1.0
  O  O19  1  0.836  0.400  0.400  1.0
  O  O20  1  0.879  0.879  0.381  1.0
  O  O21  1  0.381  0.879  0.879  1.0
  O  O22  1  0.879  0.381  0.879  1.0
  O  O23  1  0.625  0.625  0.625  1.0
  O  O24  1  0.117  0.117  0.117  1.0
  O  O25  1  0.612  0.149  0.612  1.0
  O  O26  1  0.612  0.612  0.149  1.0
[/CIF]
.