The structure described by ZnIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form ZnIn12 cuboctahedra that share corners with four equivalent Zn(1)In12 cuboctahedra, corners with eight equivalent In(2)Zn4In8 cuboctahedra, edges with eight equivalent Zn(1)In12 cuboctahedra, edges with sixteen equivalent In(1)Zn4In8 cuboctahedra, faces with four equivalent Zn(1)In12 cuboctahedra, faces with six equivalent In(2)Zn4In8 cuboctahedra, and faces with eight equivalent In(1)Zn4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Zn(1), four equivalent In(1), and four equivalent In(2) atoms to form InZn4In8 cuboctahedra that share corners with twelve equivalent In(1)Zn4In8 cuboctahedra, edges with eight equivalent Zn(1)In12 cuboctahedra, edges with eight equivalent In(1)Zn4In8 cuboctahedra, edges with eight equivalent In(2)Zn4In8 cuboctahedra, faces with four equivalent Zn(1)In12 cuboctahedra, faces with four equivalent In(2)Zn4In8 cuboctahedra, and faces with ten equivalent In(1)Zn4In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Zn(1) and eight equivalent In(1) atoms to form InZn4In8 cuboctahedra that share corners with four equivalent In(2)Zn4In8 cuboctahedra, corners with eight equivalent Zn(1)In12 cuboctahedra, edges with eight equivalent In(2)Zn4In8 cuboctahedra, edges with sixteen equivalent In(1)Zn4In8 cuboctahedra, faces with four equivalent In(2)Zn4In8 cuboctahedra, faces with six equivalent Zn(1)In12 cuboctahedra, and faces with eight equivalent In(1)Zn4In8 cuboctahedra. is represented by the CIF file [CIF]
data_ZnIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.796
_cell_length_c   5.796
_cell_angle_alpha   134.077
_cell_angle_beta   134.077
_cell_angle_gamma   66.967
_symmetry_Int_Tables_number   1
_cell_volume   98.862
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.750  0.250  0.500  1.0
  In  In2  1  0.250  0.750  0.500  1.0
  In  In3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by ZnIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Zn(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form ZnIn12 cuboctahedra that share corners with four equivalent Zn(1)In12 cuboctahedra, corners with eight equivalent In(2)Zn4In8 cuboctahedra, edges with eight equivalent Zn(1)In12 cuboctahedra, edges with sixteen equivalent In(1)Zn4In8 cuboctahedra, faces with four equivalent Zn(1)In12 cuboctahedra, faces with six equivalent In(2)Zn4In8 cuboctahedra, and faces with eight equivalent In(1)Zn4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Zn(1), four equivalent In(1), and four equivalent In(2) atoms to form InZn4In8 cuboctahedra that share corners with twelve equivalent In(1)Zn4In8 cuboctahedra, edges with eight equivalent Zn(1)In12 cuboctahedra, edges with eight equivalent In(1)Zn4In8 cuboctahedra, edges with eight equivalent In(2)Zn4In8 cuboctahedra, faces with four equivalent Zn(1)In12 cuboctahedra, faces with four equivalent In(2)Zn4In8 cuboctahedra, and faces with ten equivalent In(1)Zn4In8 cuboctahedra. In the second In site, In(2) is bonded to four equivalent Zn(1) and eight equivalent In(1) atoms to form InZn4In8 cuboctahedra that share corners with four equivalent In(2)Zn4In8 cuboctahedra, corners with eight equivalent Zn(1)In12 cuboctahedra, edges with eight equivalent In(2)Zn4In8 cuboctahedra, edges with sixteen equivalent In(1)Zn4In8 cuboctahedra, faces with four equivalent In(2)Zn4In8 cuboctahedra, faces with six equivalent Zn(1)In12 cuboctahedra, and faces with eight equivalent In(1)Zn4In8 cuboctahedra. is represented by the CIF file [CIF]
data_ZnIn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.796
_cell_length_c   5.796
_cell_angle_alpha   134.077
_cell_angle_beta   134.077
_cell_angle_gamma   66.967
_symmetry_Int_Tables_number   1
_cell_volume   98.862
_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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.750  0.250  0.500  1.0
  In  In2  1  0.250  0.750  0.500  1.0
  In  In3  1  0.500  0.500  0.000  1.0
[/CIF]
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