The material described by Pr2CdSb4 crystallizes in the tetragonal P-4m2 space group. Pr(1) is bonded in a 10-coordinate geometry to two equivalent Cd(1), two equivalent Sb(1), two equivalent Sb(2), and four equivalent Sb(3) atoms. Cd(1) is bonded to four equivalent Pr(1) and four equivalent Sb(3) atoms to form distorted CdPr4Sb4 tetrahedra that share corners with eight equivalent Sb(3)Pr4Cd2 pentagonal pyramids, edges with four equivalent Sb(3)Pr4Cd2 pentagonal pyramids, and edges with four equivalent Cd(1)Pr4Sb4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded to four equivalent Pr(1) and two equivalent Cd(1) atoms to form distorted SbPr4Cd2 pentagonal pyramids that share corners with eight equivalent Sb(3)Pr4Cd2 pentagonal pyramids, corners with four equivalent Cd(1)Pr4Sb4 tetrahedra, edges with two equivalent Sb(3)Pr4Cd2 pentagonal pyramids, edges with two equivalent Cd(1)Pr4Sb4 tetrahedra, and faces with two equivalent Sb(3)Pr4Cd2 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2CdSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.349
_cell_length_b   4.349
_cell_length_c   11.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.947
_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
  Pr  Pr0  1  0.500  0.000  0.766  1.0
  Pr  Pr1  1  0.000  0.500  0.234  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
  Sb  Sb3  1  0.500  0.500  0.000  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.000  0.333  1.0
  Sb  Sb6  1  0.000  0.500  0.667  1.0
[/CIF]
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The material described by Pr2CdSb4 crystallizes in the tetragonal P-4m2 space group. Pr(1) is bonded in a 10-coordinate geometry to two equivalent Cd(1), two equivalent Sb(1), two equivalent Sb(2), and four equivalent Sb(3) atoms. Cd(1) is bonded to four equivalent Pr(1) and four equivalent Sb(3) atoms to form distorted CdPr4Sb4 tetrahedra that share corners with eight equivalent Sb(3)Pr4Cd2 pentagonal pyramids, edges with four equivalent Sb(3)Pr4Cd2 pentagonal pyramids, and edges with four equivalent Cd(1)Pr4Sb4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent Pr(1) and four equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded to four equivalent Pr(1) and two equivalent Cd(1) atoms to form distorted SbPr4Cd2 pentagonal pyramids that share corners with eight equivalent Sb(3)Pr4Cd2 pentagonal pyramids, corners with four equivalent Cd(1)Pr4Sb4 tetrahedra, edges with two equivalent Sb(3)Pr4Cd2 pentagonal pyramids, edges with two equivalent Cd(1)Pr4Sb4 tetrahedra, and faces with two equivalent Sb(3)Pr4Cd2 pentagonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr2CdSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.349
_cell_length_b   4.349
_cell_length_c   11.099
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   209.947
_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
  Pr  Pr0  1  0.500  0.000  0.766  1.0
  Pr  Pr1  1  0.000  0.500  0.234  1.0
  Cd  Cd2  1  0.500  0.500  0.500  1.0
  Sb  Sb3  1  0.500  0.500  0.000  1.0
  Sb  Sb4  1  0.000  0.000  0.000  1.0
  Sb  Sb5  1  0.500  0.000  0.333  1.0
  Sb  Sb6  1  0.000  0.500  0.667  1.0
[/CIF]
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