The crystal structure described by CaAl2Zn2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Zn(1) and eight equivalent Al(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Zn(1), and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent Ca(1), four equivalent Zn(1), and four equivalent Al(1) atoms to form a mixture of distorted edge, face, and corner-sharing AlCa4Al4Zn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(AlZn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.081
_cell_length_b   4.081
_cell_length_c   6.386
_cell_angle_alpha   108.636
_cell_angle_beta   108.636
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.893
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Al  Al2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.392  0.392  0.784  1.0
  Zn  Zn4  1  0.608  0.608  0.216  1.0
[/CIF]
.
The crystal structure described by CaAl2Zn2 crystallizes in the tetragonal I4/mmm space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Zn(1) and eight equivalent Al(1) atoms. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Ca(1), one Zn(1), and four equivalent Al(1) atoms. Al(1) is bonded to four equivalent Ca(1), four equivalent Zn(1), and four equivalent Al(1) atoms to form a mixture of distorted edge, face, and corner-sharing AlCa4Al4Zn4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca(AlZn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.081
_cell_length_b   4.081
_cell_length_c   6.386
_cell_angle_alpha   108.636
_cell_angle_beta   108.636
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   94.893
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.750  0.250  0.500  1.0
  Al  Al2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.392  0.392  0.784  1.0
  Zn  Zn4  1  0.608  0.608  0.216  1.0
[/CIF]
.