The material structure described by Zr3Cd2 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a square co-planar geometry to four equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a distorted linear geometry to two equivalent Zr(1) and two equivalent Cd(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Zr(2) and two equivalent Cd(2) atoms to form corner-sharing CdZr4Cd2 octahedra. The corner-sharing octahedra are not tilted. In the second Cd site, Cd(2) is bonded in a distorted linear geometry to two equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Cd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.606
_cell_length_b   5.606
_cell_length_c   5.236
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.554
_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
  Zr  Zr0  1  0.500  0.500  0.000  1.0
  Zr  Zr1  1  0.000  0.500  0.000  1.0
  Zr  Zr2  1  0.500  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  Cd  Cd4  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Zr3Cd2 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a square co-planar geometry to four equivalent Zr(2) atoms. In the second Zr site, Zr(2) is bonded in a distorted linear geometry to two equivalent Zr(1) and two equivalent Cd(1) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to four equivalent Zr(2) and two equivalent Cd(2) atoms to form corner-sharing CdZr4Cd2 octahedra. The corner-sharing octahedra are not tilted. In the second Cd site, Cd(2) is bonded in a distorted linear geometry to two equivalent Cd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zr3Cd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.606
_cell_length_b   5.606
_cell_length_c   5.236
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   164.554
_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
  Zr  Zr0  1  0.500  0.500  0.000  1.0
  Zr  Zr1  1  0.000  0.500  0.000  1.0
  Zr  Zr2  1  0.500  0.000  0.000  1.0
  Cd  Cd3  1  0.000  0.000  0.000  1.0
  Cd  Cd4  1  0.000  0.000  0.500  1.0
[/CIF]
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