The material structure described by LiZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a distorted body-centered cubic geometry to six equivalent Zn(2) and eight equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Li(1) and four equivalent Zn(2) atoms to form a mixture of distorted corner, edge, and face-sharing ZnLi4Zn4 tetrahedra. In the second Zn site, Zn(2) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.258
_cell_length_b   4.258
_cell_length_c   4.258
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   54.602
_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  0.750  0.750  0.750  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.250  0.250  0.250  1.0
[/CIF]
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The material structure described by LiZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a distorted body-centered cubic geometry to six equivalent Zn(2) and eight equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Li(1) and four equivalent Zn(2) atoms to form a mixture of distorted corner, edge, and face-sharing ZnLi4Zn4 tetrahedra. In the second Zn site, Zn(2) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.258
_cell_length_b   4.258
_cell_length_c   4.258
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   54.602
_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  0.750  0.750  0.750  1.0
  Zn  Zn1  1  0.000  0.000  0.000  1.0
  Zn  Zn2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.250  0.250  0.250  1.0
[/CIF]
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