The crystal structure described by Ca2Zn is zeta iron carbide structured and crystallizes in the tetragonal P4_2/mnm space group. Ca(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms. Zn(1) is bonded to six equivalent Ca(1) atoms to form a mixture of corner and edge-sharing ZnCa6 octahedra. The corner-sharing octahedral tilt angles are 41°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.458
_cell_length_b   7.458
_cell_length_c   3.948
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.644
_cell_formula_units_Z   2
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  0.282  0.282  0.000  1.0
  Ca  Ca1  1  0.718  0.718  0.000  1.0
  Ca  Ca2  1  0.218  0.782  0.500  1.0
  Ca  Ca3  1  0.782  0.218  0.500  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
[/CIF]
.
The crystal structure described by Ca2Zn is zeta iron carbide structured and crystallizes in the tetragonal P4_2/mnm space group. Ca(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) atoms. Zn(1) is bonded to six equivalent Ca(1) atoms to form a mixture of corner and edge-sharing ZnCa6 octahedra. The corner-sharing octahedral tilt angles are 41°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.458
_cell_length_b   7.458
_cell_length_c   3.948
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   219.644
_cell_formula_units_Z   2
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  0.282  0.282  0.000  1.0
  Ca  Ca1  1  0.718  0.718  0.000  1.0
  Ca  Ca2  1  0.218  0.782  0.500  1.0
  Ca  Ca3  1  0.782  0.218  0.500  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.500  0.500  1.0
[/CIF]
.