The structure described by CaZn3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to six equivalent Zn(1) and eight equivalent Zn(2) atoms. In the second Ca site, Ca(1) is bonded in a 10-coordinate geometry to six equivalent Zn(1) and eight equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to six Ca(1,1) and eight equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded to four Ca(1,1) and four equivalent Zn(1) atoms to form a mixture of distorted edge, corner, and face-sharing ZnCa4Zn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.695
_cell_length_b   4.695
_cell_length_c   4.695
_cell_angle_alpha   116.146
_cell_angle_beta   116.146
_cell_angle_gamma   96.817
_symmetry_Int_Tables_number   1
_cell_volume   76.861
_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
  Zn  Zn1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.750  0.250  0.500  1.0
[/CIF]
.
The structure described by CaZn3 crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 10-coordinate geometry to six equivalent Zn(1) and eight equivalent Zn(2) atoms. In the second Ca site, Ca(1) is bonded in a 10-coordinate geometry to six equivalent Zn(1) and eight equivalent Zn(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 14-coordinate geometry to six Ca(1,1) and eight equivalent Zn(2) atoms. In the second Zn site, Zn(2) is bonded to four Ca(1,1) and four equivalent Zn(1) atoms to form a mixture of distorted edge, corner, and face-sharing ZnCa4Zn4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.695
_cell_length_b   4.695
_cell_length_c   4.695
_cell_angle_alpha   116.146
_cell_angle_beta   116.146
_cell_angle_gamma   96.817
_symmetry_Int_Tables_number   1
_cell_volume   76.861
_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
  Zn  Zn1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  Zn  Zn3  1  0.750  0.250  0.500  1.0
[/CIF]
.