The crystal structure described by Pr5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted corner-sharing PrSi6 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to two equivalent Si(1) and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Pr(1) and eight equivalent Pr(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Pr(1), six equivalent Pr(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Pr5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.893
_cell_length_b   7.893
_cell_length_c   8.937
_cell_angle_alpha   116.207
_cell_angle_beta   116.207
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.846
_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  0.500  0.500  0.000  1.0
  Pr  Pr1  1  0.000  0.000  0.000  1.0
  Pr  Pr2  1  0.968  0.824  0.292  1.0
  Pr  Pr3  1  0.324  0.468  0.292  1.0
  Pr  Pr4  1  0.824  0.324  0.292  1.0
  Pr  Pr5  1  0.468  0.968  0.292  1.0
  Pr  Pr6  1  0.032  0.176  0.708  1.0
  Pr  Pr7  1  0.676  0.532  0.708  1.0
  Pr  Pr8  1  0.176  0.676  0.708  1.0
  Pr  Pr9  1  0.532  0.032  0.708  1.0
  Si  Si10  1  0.750  0.750  0.500  1.0
  Si  Si11  1  0.250  0.250  0.500  1.0
  Si  Si12  1  0.614  0.886  0.000  1.0
  Si  Si13  1  0.386  0.114  0.000  1.0
  Si  Si14  1  0.886  0.386  0.000  1.0
  Si  Si15  1  0.114  0.614  0.000  1.0
[/CIF]
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The crystal structure described by Pr5Si3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent Si(1) and four equivalent Si(2) atoms to form distorted corner-sharing PrSi6 octahedra. The corner-sharing octahedral tilt angles range from 0-57°. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to two equivalent Si(1) and three equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 10-coordinate geometry to two equivalent Pr(1) and eight equivalent Pr(2) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to two equivalent Pr(1), six equivalent Pr(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Pr5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.893
_cell_length_b   7.893
_cell_length_c   8.937
_cell_angle_alpha   116.207
_cell_angle_beta   116.207
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.846
_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  0.500  0.500  0.000  1.0
  Pr  Pr1  1  0.000  0.000  0.000  1.0
  Pr  Pr2  1  0.968  0.824  0.292  1.0
  Pr  Pr3  1  0.324  0.468  0.292  1.0
  Pr  Pr4  1  0.824  0.324  0.292  1.0
  Pr  Pr5  1  0.468  0.968  0.292  1.0
  Pr  Pr6  1  0.032  0.176  0.708  1.0
  Pr  Pr7  1  0.676  0.532  0.708  1.0
  Pr  Pr8  1  0.176  0.676  0.708  1.0
  Pr  Pr9  1  0.532  0.032  0.708  1.0
  Si  Si10  1  0.750  0.750  0.500  1.0
  Si  Si11  1  0.250  0.250  0.500  1.0
  Si  Si12  1  0.614  0.886  0.000  1.0
  Si  Si13  1  0.386  0.114  0.000  1.0
  Si  Si14  1  0.886  0.386  0.000  1.0
  Si  Si15  1  0.114  0.614  0.000  1.0
[/CIF]
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