The crystal structure described by LiZn2Al4O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Al(3)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Al site, Al(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form AlO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Al(3)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. In the third Al site, Al(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Zn(1), one Al(1), and one Al(3) atom to form distorted OLiAl2Zn2 square pyramids that share corners with two equivalent O(2)LiAl3Zn square pyramids, corners with four equivalent O(1)LiAl2Zn2 square pyramids, and edges with six equivalent O(2)LiAl3Zn square pyramids. In the second O site, O(2) is bonded to one Li(1), one Zn(1), one Al(1), one Al(2), and one Al(3) atom to form OLiAl3Zn square pyramids that share  a cornercorner with one O(1)LiAl2Zn2 square pyramid, corners with five equivalent O(2)LiAl3Zn square pyramids, edges with three equivalent O(1)LiAl2Zn2 square pyramids, and edges with three equivalent O(2)LiAl3Zn square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Zn(1), one Al(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_LiAl4Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.971
_cell_length_c   5.748
_cell_angle_alpha   62.717
_cell_angle_beta   60.544
_cell_angle_gamma   62.717
_symmetry_Int_Tables_number   1
_cell_volume   145.591
_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
  Li  Li0  1  0.000  0.500  0.000  1.0
  Al  Al1  1  0.140  0.051  0.140  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Al  Al4  1  0.860  0.949  0.860  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.264  0.201  0.264  1.0
  O  O8  1  0.270  0.246  0.741  1.0
  O  O9  1  0.279  0.700  0.279  1.0
  O  O10  1  0.741  0.246  0.270  1.0
  O  O11  1  0.259  0.754  0.730  1.0
  O  O12  1  0.721  0.300  0.721  1.0
  O  O13  1  0.730  0.754  0.259  1.0
  O  O14  1  0.736  0.799  0.736  1.0
[/CIF]
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The crystal structure described by LiZn2Al4O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with six equivalent Al(3)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with two equivalent Al(3)O6 octahedra. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Al site, Al(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form AlO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Al(3)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. In the third Al site, Al(3) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form AlO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Al(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Zn(1), one Al(1), and one Al(3) atom to form distorted OLiAl2Zn2 square pyramids that share corners with two equivalent O(2)LiAl3Zn square pyramids, corners with four equivalent O(1)LiAl2Zn2 square pyramids, and edges with six equivalent O(2)LiAl3Zn square pyramids. In the second O site, O(2) is bonded to one Li(1), one Zn(1), one Al(1), one Al(2), and one Al(3) atom to form OLiAl3Zn square pyramids that share  a cornercorner with one O(1)LiAl2Zn2 square pyramid, corners with five equivalent O(2)LiAl3Zn square pyramids, edges with three equivalent O(1)LiAl2Zn2 square pyramids, and edges with three equivalent O(2)LiAl3Zn square pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Zn(1), one Al(1), and one Al(2) atom. is represented by the CIF card [CIF]
data_LiAl4Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.971
_cell_length_c   5.748
_cell_angle_alpha   62.717
_cell_angle_beta   60.544
_cell_angle_gamma   62.717
_symmetry_Int_Tables_number   1
_cell_volume   145.591
_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
  Li  Li0  1  0.000  0.500  0.000  1.0
  Al  Al1  1  0.140  0.051  0.140  1.0
  Al  Al2  1  0.500  0.500  0.500  1.0
  Al  Al3  1  0.500  0.000  0.500  1.0
  Al  Al4  1  0.860  0.949  0.860  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Zn  Zn6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.264  0.201  0.264  1.0
  O  O8  1  0.270  0.246  0.741  1.0
  O  O9  1  0.279  0.700  0.279  1.0
  O  O10  1  0.741  0.246  0.270  1.0
  O  O11  1  0.259  0.754  0.730  1.0
  O  O12  1  0.721  0.300  0.721  1.0
  O  O13  1  0.730  0.754  0.259  1.0
  O  O14  1  0.736  0.799  0.736  1.0
[/CIF]
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