The material described by LiZnO4I crystallizes in the orthorhombic Ama2 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. Zn(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Zn(1), and one I(1) atom to form a mixture of edge and corner-sharing OLiZn2I tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Zn(1), and one I(1) atom to form a mixture of distorted edge and corner-sharing OLiZn2I tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1) and one I(1) atom. I(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. is represented by the CIF file [CIF]
data_LiZnIO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.290
_cell_length_b   6.340
_cell_length_c   5.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.740
_symmetry_Int_Tables_number   1
_cell_volume   203.822
_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  0.999  0.871  0.250  1.0
  Li  Li1  1  0.128  0.129  0.750  1.0
  Zn  Zn2  1  0.563  0.000  0.500  1.0
  Zn  Zn3  1  0.563  0.000  0.000  1.0
  I  I4  1  0.092  0.437  0.250  1.0
  I  I5  1  0.655  0.563  0.750  1.0
  O  O6  1  0.821  0.087  0.250  1.0
  O  O7  1  0.734  0.913  0.750  1.0
  O  O8  1  0.325  0.835  0.250  1.0
  O  O9  1  0.490  0.165  0.750  1.0
  O  O10  1  0.243  0.375  0.486  1.0
  O  O11  1  0.868  0.625  0.514  1.0
  O  O12  1  0.243  0.375  0.014  1.0
  O  O13  1  0.868  0.625  0.986  1.0
[/CIF]
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The material described by LiZnO4I crystallizes in the orthorhombic Ama2 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. Zn(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Zn(1), and one I(1) atom to form a mixture of edge and corner-sharing OLiZn2I tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Zn(1), and one I(1) atom to form a mixture of distorted edge and corner-sharing OLiZn2I tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1) and one I(1) atom. I(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. is represented by the CIF file [CIF]
data_LiZnIO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.290
_cell_length_b   6.340
_cell_length_c   5.886
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.740
_symmetry_Int_Tables_number   1
_cell_volume   203.822
_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  0.999  0.871  0.250  1.0
  Li  Li1  1  0.128  0.129  0.750  1.0
  Zn  Zn2  1  0.563  0.000  0.500  1.0
  Zn  Zn3  1  0.563  0.000  0.000  1.0
  I  I4  1  0.092  0.437  0.250  1.0
  I  I5  1  0.655  0.563  0.750  1.0
  O  O6  1  0.821  0.087  0.250  1.0
  O  O7  1  0.734  0.913  0.750  1.0
  O  O8  1  0.325  0.835  0.250  1.0
  O  O9  1  0.490  0.165  0.750  1.0
  O  O10  1  0.243  0.375  0.486  1.0
  O  O11  1  0.868  0.625  0.514  1.0
  O  O12  1  0.243  0.375  0.014  1.0
  O  O13  1  0.868  0.625  0.986  1.0
[/CIF]
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