The compound described by LiZn2Al4O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Zn(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Zn(1), one Zn(2), one Al(1), and one Al(2) atom to form OLiAl2Zn2 square pyramids that share  a cornercorner with one O(3)LiAl3Zn square pyramid, corners with five equivalent O(1)LiAl2Zn2 square pyramids, edges with three equivalent O(1)LiAl2Zn2 square pyramids, and edges with three equivalent O(3)LiAl3Zn square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Zn(1), one Al(1), and two equivalent Al(2) atoms. In the third O site, O(3) is bonded to one Li(1), one Zn(2), one Al(1), and two equivalent Al(2) atoms to form OLiAl3Zn square pyramids that share corners with two equivalent O(1)LiAl2Zn2 square pyramids, corners with four equivalent O(3)LiAl3Zn square pyramids, and edges with six equivalent O(1)LiAl2Zn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl4Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   5.775
_cell_length_c   6.006
_cell_angle_alpha   61.262
_cell_angle_beta   62.395
_cell_angle_gamma   60.085
_symmetry_Int_Tables_number   1
_cell_volume   145.865
_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  0.000  0.500  1.0
  Al  Al1  1  0.147  0.143  0.067  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  0.853  0.857  0.933  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  0.259  0.228  0.256  1.0
  O  O8  1  0.291  0.253  0.703  1.0
  O  O9  1  0.259  0.756  0.256  1.0
  O  O10  1  0.739  0.240  0.281  1.0
  O  O11  1  0.261  0.760  0.719  1.0
  O  O12  1  0.741  0.244  0.744  1.0
  O  O13  1  0.709  0.747  0.297  1.0
  O  O14  1  0.741  0.772  0.744  1.0
[/CIF]
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The compound described by LiZn2Al4O8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Zn(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Al(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the second Al site, Al(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form AlO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with two equivalent Zn(2)O6 octahedra, and edges with two equivalent Al(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Zn(1), one Zn(2), one Al(1), and one Al(2) atom to form OLiAl2Zn2 square pyramids that share  a cornercorner with one O(3)LiAl3Zn square pyramid, corners with five equivalent O(1)LiAl2Zn2 square pyramids, edges with three equivalent O(1)LiAl2Zn2 square pyramids, and edges with three equivalent O(3)LiAl3Zn square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Zn(1), one Al(1), and two equivalent Al(2) atoms. In the third O site, O(3) is bonded to one Li(1), one Zn(2), one Al(1), and two equivalent Al(2) atoms to form OLiAl3Zn square pyramids that share corners with two equivalent O(1)LiAl2Zn2 square pyramids, corners with four equivalent O(3)LiAl3Zn square pyramids, and edges with six equivalent O(1)LiAl2Zn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAl4Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.790
_cell_length_b   5.775
_cell_length_c   6.006
_cell_angle_alpha   61.262
_cell_angle_beta   62.395
_cell_angle_gamma   60.085
_symmetry_Int_Tables_number   1
_cell_volume   145.865
_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  0.000  0.500  1.0
  Al  Al1  1  0.147  0.143  0.067  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  0.853  0.857  0.933  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  0.259  0.228  0.256  1.0
  O  O8  1  0.291  0.253  0.703  1.0
  O  O9  1  0.259  0.756  0.256  1.0
  O  O10  1  0.739  0.240  0.281  1.0
  O  O11  1  0.261  0.760  0.719  1.0
  O  O12  1  0.741  0.244  0.744  1.0
  O  O13  1  0.709  0.747  0.297  1.0
  O  O14  1  0.741  0.772  0.744  1.0
[/CIF]
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