The compound described by Li2ZnBr4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form LiBr6 octahedra that share corners with four equivalent Li(2)Br6 octahedra, corners with two equivalent Zn(1)Br4 tetrahedra, edges with two equivalent Li(1)Br6 octahedra, edges with two equivalent Li(2)Br6 octahedra, and edges with two equivalent Zn(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Li site, Li(2) is bonded to one Br(1), one Br(2), and four equivalent Br(3) atoms to form LiBr6 octahedra that share corners with four equivalent Li(1)Br6 octahedra, corners with four equivalent Li(2)Br6 octahedra, corners with four equivalent Zn(1)Br4 tetrahedra, edges with two equivalent Li(1)Br6 octahedra, and  an edgeedge with one Zn(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-53°. Zn(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form ZnBr4 tetrahedra that share corners with two equivalent Li(1)Br6 octahedra, corners with four equivalent Li(2)Br6 octahedra,  an edgeedge with one Li(2)Br6 octahedra, and edges with two equivalent Li(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to one Li(2), two equivalent Li(1), and one Zn(1) atom to form distorted corner-sharing BrLi3Zn trigonal pyramids. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.443
_cell_length_b   7.852
_cell_length_c   13.557
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   685.851
_cell_formula_units_Z   4
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  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.996  0.750  0.265  1.0
  Li  Li5  1  0.496  0.250  0.235  1.0
  Li  Li6  1  0.004  0.250  0.735  1.0
  Li  Li7  1  0.504  0.750  0.765  1.0
  Zn  Zn8  1  0.590  0.750  0.087  1.0
  Zn  Zn9  1  0.090  0.250  0.413  1.0
  Zn  Zn10  1  0.410  0.250  0.913  1.0
  Zn  Zn11  1  0.910  0.750  0.587  1.0
  Br  Br12  1  0.220  0.750  0.089  1.0
  Br  Br13  1  0.720  0.250  0.411  1.0
  Br  Br14  1  0.780  0.250  0.911  1.0
  Br  Br15  1  0.280  0.750  0.589  1.0
  Br  Br16  1  0.750  0.750  0.425  1.0
  Br  Br17  1  0.250  0.250  0.075  1.0
  Br  Br18  1  0.250  0.250  0.575  1.0
  Br  Br19  1  0.750  0.750  0.925  1.0
  Br  Br20  1  0.750  0.993  0.167  1.0
  Br  Br21  1  0.250  0.007  0.333  1.0
  Br  Br22  1  0.250  0.493  0.833  1.0
  Br  Br23  1  0.750  0.507  0.667  1.0
  Br  Br24  1  0.250  0.007  0.833  1.0
  Br  Br25  1  0.750  0.993  0.667  1.0
  Br  Br26  1  0.750  0.507  0.167  1.0
  Br  Br27  1  0.250  0.493  0.333  1.0
[/CIF]
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The compound described by Li2ZnBr4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Br(1), two equivalent Br(2), and two equivalent Br(3) atoms to form LiBr6 octahedra that share corners with four equivalent Li(2)Br6 octahedra, corners with two equivalent Zn(1)Br4 tetrahedra, edges with two equivalent Li(1)Br6 octahedra, edges with two equivalent Li(2)Br6 octahedra, and edges with two equivalent Zn(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Li site, Li(2) is bonded to one Br(1), one Br(2), and four equivalent Br(3) atoms to form LiBr6 octahedra that share corners with four equivalent Li(1)Br6 octahedra, corners with four equivalent Li(2)Br6 octahedra, corners with four equivalent Zn(1)Br4 tetrahedra, edges with two equivalent Li(1)Br6 octahedra, and  an edgeedge with one Zn(1)Br4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-53°. Zn(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form ZnBr4 tetrahedra that share corners with two equivalent Li(1)Br6 octahedra, corners with four equivalent Li(2)Br6 octahedra,  an edgeedge with one Li(2)Br6 octahedra, and edges with two equivalent Li(1)Br6 octahedra. The corner-sharing octahedral tilt angles range from 58-62°. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded to one Li(2), two equivalent Li(1), and one Zn(1) atom to form distorted corner-sharing BrLi3Zn trigonal pyramids. In the second Br site, Br(2) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Zn(1) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2ZnBr4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.443
_cell_length_b   7.852
_cell_length_c   13.557
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   685.851
_cell_formula_units_Z   4
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  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.500  1.0
  Li  Li4  1  0.996  0.750  0.265  1.0
  Li  Li5  1  0.496  0.250  0.235  1.0
  Li  Li6  1  0.004  0.250  0.735  1.0
  Li  Li7  1  0.504  0.750  0.765  1.0
  Zn  Zn8  1  0.590  0.750  0.087  1.0
  Zn  Zn9  1  0.090  0.250  0.413  1.0
  Zn  Zn10  1  0.410  0.250  0.913  1.0
  Zn  Zn11  1  0.910  0.750  0.587  1.0
  Br  Br12  1  0.220  0.750  0.089  1.0
  Br  Br13  1  0.720  0.250  0.411  1.0
  Br  Br14  1  0.780  0.250  0.911  1.0
  Br  Br15  1  0.280  0.750  0.589  1.0
  Br  Br16  1  0.750  0.750  0.425  1.0
  Br  Br17  1  0.250  0.250  0.075  1.0
  Br  Br18  1  0.250  0.250  0.575  1.0
  Br  Br19  1  0.750  0.750  0.925  1.0
  Br  Br20  1  0.750  0.993  0.167  1.0
  Br  Br21  1  0.250  0.007  0.333  1.0
  Br  Br22  1  0.250  0.493  0.833  1.0
  Br  Br23  1  0.750  0.507  0.667  1.0
  Br  Br24  1  0.250  0.007  0.833  1.0
  Br  Br25  1  0.750  0.993  0.667  1.0
  Br  Br26  1  0.750  0.507  0.167  1.0
  Br  Br27  1  0.250  0.493  0.333  1.0
[/CIF]
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