The crystal structure described by Zr5CdSb2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Zr(1) and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1) and four equivalent Sb(1) atoms. Cd(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(2) and two equivalent Cd(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1) and eight equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr5CdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.622
_cell_length_b   8.454
_cell_length_c   8.454
_cell_angle_alpha   83.654
_cell_angle_beta   70.581
_cell_angle_gamma   70.581
_symmetry_Int_Tables_number   1
_cell_volume   357.393
_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
  Zr  Zr0  1  0.250  0.500  0.500  1.0
  Zr  Zr1  1  0.750  0.500  0.500  1.0
  Zr  Zr2  1  0.078  0.147  0.697  1.0
  Zr  Zr3  1  0.922  0.853  0.303  1.0
  Zr  Zr4  1  0.775  0.303  0.147  1.0
  Zr  Zr5  1  0.422  0.303  0.853  1.0
  Zr  Zr6  1  0.225  0.697  0.853  1.0
  Zr  Zr7  1  0.578  0.697  0.147  1.0
  Zr  Zr8  1  0.725  0.853  0.697  1.0
  Zr  Zr9  1  0.275  0.147  0.303  1.0
  Cd  Cd10  1  0.250  0.000  0.000  1.0
  Cd  Cd11  1  0.750  0.000  0.000  1.0
  Sb  Sb12  1  0.164  0.500  0.172  1.0
  Sb  Sb13  1  0.836  0.500  0.828  1.0
  Sb  Sb14  1  0.336  0.828  0.500  1.0
  Sb  Sb15  1  0.664  0.172  0.500  1.0
[/CIF]
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The crystal structure described by Zr5CdSb2 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to two equivalent Zr(1) and four equivalent Sb(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to two equivalent Cd(1) and four equivalent Sb(1) atoms. Cd(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(2) and two equivalent Cd(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Zr(1) and eight equivalent Zr(2) atoms. is represented by the CIF card [CIF]
data_Zr5CdSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.622
_cell_length_b   8.454
_cell_length_c   8.454
_cell_angle_alpha   83.654
_cell_angle_beta   70.581
_cell_angle_gamma   70.581
_symmetry_Int_Tables_number   1
_cell_volume   357.393
_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
  Zr  Zr0  1  0.250  0.500  0.500  1.0
  Zr  Zr1  1  0.750  0.500  0.500  1.0
  Zr  Zr2  1  0.078  0.147  0.697  1.0
  Zr  Zr3  1  0.922  0.853  0.303  1.0
  Zr  Zr4  1  0.775  0.303  0.147  1.0
  Zr  Zr5  1  0.422  0.303  0.853  1.0
  Zr  Zr6  1  0.225  0.697  0.853  1.0
  Zr  Zr7  1  0.578  0.697  0.147  1.0
  Zr  Zr8  1  0.725  0.853  0.697  1.0
  Zr  Zr9  1  0.275  0.147  0.303  1.0
  Cd  Cd10  1  0.250  0.000  0.000  1.0
  Cd  Cd11  1  0.750  0.000  0.000  1.0
  Sb  Sb12  1  0.164  0.500  0.172  1.0
  Sb  Sb13  1  0.836  0.500  0.828  1.0
  Sb  Sb14  1  0.336  0.828  0.500  1.0
  Sb  Sb15  1  0.664  0.172  0.500  1.0
[/CIF]
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