The material structure described by LiZn4SnO8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. Li(1) is bonded to one O(4) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and edges with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, edges with four equivalent Zn(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Zn site, Zn(2) is bonded to one O(1) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with nine equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. Sn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form distorted corner-sharing OZn4 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Zn(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Zn(2), two equivalent Zn(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Li(1) and three equivalent Zn(1) atoms to form distorted corner-sharing OLiZn3 tetrahedra. is represented by the CIF card [CIF]
data_LiZn4SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.068
_cell_length_b   6.068
_cell_length_c   9.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   314.998
_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
  Li  Li0  1  0.000  0.000  0.834  1.0
  Li  Li1  1  0.000  0.000  0.334  1.0
  Zn  Zn2  1  0.832  0.664  0.618  1.0
  Zn  Zn3  1  0.832  0.168  0.618  1.0
  Zn  Zn4  1  0.168  0.336  0.118  1.0
  Zn  Zn5  1  0.336  0.168  0.618  1.0
  Zn  Zn6  1  0.168  0.832  0.118  1.0
  Zn  Zn7  1  0.664  0.832  0.118  1.0
  Zn  Zn8  1  0.667  0.333  0.930  1.0
  Zn  Zn9  1  0.333  0.667  0.430  1.0
  Sn  Sn10  1  0.667  0.333  0.337  1.0
  Sn  Sn11  1  0.333  0.667  0.837  1.0
  O  O12  1  0.667  0.333  0.724  1.0
  O  O13  1  0.333  0.667  0.224  1.0
  O  O14  1  0.162  0.325  0.735  1.0
  O  O15  1  0.162  0.838  0.735  1.0
  O  O16  1  0.838  0.675  0.235  1.0
  O  O17  1  0.675  0.838  0.735  1.0
  O  O18  1  0.838  0.162  0.235  1.0
  O  O19  1  0.325  0.162  0.235  1.0
  O  O20  1  0.485  0.970  0.983  1.0
  O  O21  1  0.485  0.515  0.983  1.0
  O  O22  1  0.515  0.030  0.483  1.0
  O  O23  1  0.030  0.515  0.983  1.0
  O  O24  1  0.515  0.485  0.483  1.0
  O  O25  1  0.970  0.485  0.483  1.0
  O  O26  1  0.000  0.000  0.022  1.0
  O  O27  1  0.000  0.000  0.522  1.0
[/CIF]
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The material structure described by LiZn4SnO8 is Spinel-derived structured and crystallizes in the hexagonal P6_3mc space group. Li(1) is bonded to one O(4) and three equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and edges with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Sn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Sn(1)O6 octahedra, edges with four equivalent Zn(1)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Zn site, Zn(2) is bonded to one O(1) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sn(1)O6 octahedra and corners with nine equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-61°. Sn(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form SnO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Zn(2) and three equivalent Zn(1) atoms to form distorted corner-sharing OZn4 trigonal pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Zn(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Zn(2), two equivalent Zn(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Li(1) and three equivalent Zn(1) atoms to form distorted corner-sharing OLiZn3 tetrahedra. is represented by the CIF card [CIF]
data_LiZn4SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.068
_cell_length_b   6.068
_cell_length_c   9.877
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   314.998
_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
  Li  Li0  1  0.000  0.000  0.834  1.0
  Li  Li1  1  0.000  0.000  0.334  1.0
  Zn  Zn2  1  0.832  0.664  0.618  1.0
  Zn  Zn3  1  0.832  0.168  0.618  1.0
  Zn  Zn4  1  0.168  0.336  0.118  1.0
  Zn  Zn5  1  0.336  0.168  0.618  1.0
  Zn  Zn6  1  0.168  0.832  0.118  1.0
  Zn  Zn7  1  0.664  0.832  0.118  1.0
  Zn  Zn8  1  0.667  0.333  0.930  1.0
  Zn  Zn9  1  0.333  0.667  0.430  1.0
  Sn  Sn10  1  0.667  0.333  0.337  1.0
  Sn  Sn11  1  0.333  0.667  0.837  1.0
  O  O12  1  0.667  0.333  0.724  1.0
  O  O13  1  0.333  0.667  0.224  1.0
  O  O14  1  0.162  0.325  0.735  1.0
  O  O15  1  0.162  0.838  0.735  1.0
  O  O16  1  0.838  0.675  0.235  1.0
  O  O17  1  0.675  0.838  0.735  1.0
  O  O18  1  0.838  0.162  0.235  1.0
  O  O19  1  0.325  0.162  0.235  1.0
  O  O20  1  0.485  0.970  0.983  1.0
  O  O21  1  0.485  0.515  0.983  1.0
  O  O22  1  0.515  0.030  0.483  1.0
  O  O23  1  0.030  0.515  0.983  1.0
  O  O24  1  0.515  0.485  0.483  1.0
  O  O25  1  0.970  0.485  0.483  1.0
  O  O26  1  0.000  0.000  0.022  1.0
  O  O27  1  0.000  0.000  0.522  1.0
[/CIF]
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