The crystal structure described by Pr5Fe2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Fe(1) and two equivalent Sb(1) atoms to form distorted PrFe4Sb2 octahedra that share corners with six equivalent Pr(1)Fe4Sb2 octahedra, corners with sixteen equivalent Pr(2)Fe3Sb2 trigonal bipyramids, and faces with eight equivalent Pr(2)Fe3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-62°. In the second Pr site, Pr(2) is bonded to three equivalent Fe(1) and two equivalent Sb(1) atoms to form distorted PrFe3Sb2 trigonal bipyramids that share corners with four equivalent Pr(1)Fe4Sb2 octahedra, corners with twelve equivalent Pr(2)Fe3Sb2 trigonal bipyramids, edges with seven equivalent Pr(2)Fe3Sb2 trigonal bipyramids, faces with two equivalent Pr(1)Fe4Sb2 octahedra, and  a faceface with one Pr(2)Fe3Sb2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. Fe(1) is bonded in a 9-coordinate geometry to two equivalent Pr(1), six equivalent Pr(2), and one Fe(1) atom. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Pr(1) and eight equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Pr5Fe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.018
_cell_length_b   9.018
_cell_length_c   9.018
_cell_angle_alpha   127.706
_cell_angle_beta   127.706
_cell_angle_gamma   77.102
_symmetry_Int_Tables_number   1
_cell_volume   445.463
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.500  0.500  0.000  1.0
  Pr  Pr2  1  0.805  0.305  0.833  1.0
  Pr  Pr3  1  0.195  0.695  0.167  1.0
  Pr  Pr4  1  0.471  0.971  0.167  1.0
  Pr  Pr5  1  0.305  0.471  0.500  1.0
  Pr  Pr6  1  0.029  0.195  0.500  1.0
  Pr  Pr7  1  0.529  0.029  0.833  1.0
  Pr  Pr8  1  0.695  0.529  0.500  1.0
  Pr  Pr9  1  0.971  0.805  0.500  1.0
  Fe  Fe10  1  0.100  0.600  0.699  1.0
  Fe  Fe11  1  0.900  0.400  0.301  1.0
  Fe  Fe12  1  0.600  0.900  0.500  1.0
  Fe  Fe13  1  0.400  0.100  0.500  1.0
  Sb  Sb14  1  0.250  0.250  0.000  1.0
  Sb  Sb15  1  0.750  0.750  0.000  1.0
[/CIF]
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The crystal structure described by Pr5Fe2Sb crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to four equivalent Fe(1) and two equivalent Sb(1) atoms to form distorted PrFe4Sb2 octahedra that share corners with six equivalent Pr(1)Fe4Sb2 octahedra, corners with sixteen equivalent Pr(2)Fe3Sb2 trigonal bipyramids, and faces with eight equivalent Pr(2)Fe3Sb2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 0-62°. In the second Pr site, Pr(2) is bonded to three equivalent Fe(1) and two equivalent Sb(1) atoms to form distorted PrFe3Sb2 trigonal bipyramids that share corners with four equivalent Pr(1)Fe4Sb2 octahedra, corners with twelve equivalent Pr(2)Fe3Sb2 trigonal bipyramids, edges with seven equivalent Pr(2)Fe3Sb2 trigonal bipyramids, faces with two equivalent Pr(1)Fe4Sb2 octahedra, and  a faceface with one Pr(2)Fe3Sb2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-62°. Fe(1) is bonded in a 9-coordinate geometry to two equivalent Pr(1), six equivalent Pr(2), and one Fe(1) atom. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Pr(1) and eight equivalent Pr(2) atoms. is represented by the CIF card [CIF]
data_Pr5Fe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.018
_cell_length_b   9.018
_cell_length_c   9.018
_cell_angle_alpha   127.706
_cell_angle_beta   127.706
_cell_angle_gamma   77.102
_symmetry_Int_Tables_number   1
_cell_volume   445.463
_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
  Pr  Pr0  1  0.000  0.000  0.000  1.0
  Pr  Pr1  1  0.500  0.500  0.000  1.0
  Pr  Pr2  1  0.805  0.305  0.833  1.0
  Pr  Pr3  1  0.195  0.695  0.167  1.0
  Pr  Pr4  1  0.471  0.971  0.167  1.0
  Pr  Pr5  1  0.305  0.471  0.500  1.0
  Pr  Pr6  1  0.029  0.195  0.500  1.0
  Pr  Pr7  1  0.529  0.029  0.833  1.0
  Pr  Pr8  1  0.695  0.529  0.500  1.0
  Pr  Pr9  1  0.971  0.805  0.500  1.0
  Fe  Fe10  1  0.100  0.600  0.699  1.0
  Fe  Fe11  1  0.900  0.400  0.301  1.0
  Fe  Fe12  1  0.600  0.900  0.500  1.0
  Fe  Fe13  1  0.400  0.100  0.500  1.0
  Sb  Sb14  1  0.250  0.250  0.000  1.0
  Sb  Sb15  1  0.750  0.750  0.000  1.0
[/CIF]
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