The material structure described by Pr3Sn5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one Sn(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Pr site, Pr(2) is bonded in a 10-coordinate geometry to two equivalent Sn(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Pr(1), four equivalent Pr(2), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Pr(1), four equivalent Pr(2), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Pr(1), four equivalent Pr(2), one Sn(1), and two equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.621
_cell_length_b   6.621
_cell_length_c   10.650
_cell_angle_alpha   89.986
_cell_angle_beta   89.986
_cell_angle_gamma   102.953
_symmetry_Int_Tables_number   1
_cell_volume   454.936
_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  0.637  0.637  0.250  1.0
  Pr  Pr1  1  0.363  0.363  0.750  1.0
  Pr  Pr2  1  0.201  0.799  0.500  1.0
  Pr  Pr3  1  0.201  0.799  1.000  1.0
  Pr  Pr4  1  0.799  0.201  0.500  1.0
  Pr  Pr5  1  0.799  0.201  1.000  1.0
  Sn  Sn6  1  0.027  0.027  0.250  1.0
  Sn  Sn7  1  0.973  0.973  0.750  1.0
  Sn  Sn8  1  0.323  0.323  0.049  1.0
  Sn  Sn9  1  0.677  0.677  0.951  1.0
  Sn  Sn10  1  0.323  0.323  0.451  1.0
  Sn  Sn11  1  0.677  0.677  0.549  1.0
  Sn  Sn12  1  0.494  0.072  0.250  1.0
  Sn  Sn13  1  0.928  0.506  0.750  1.0
  Sn  Sn14  1  0.506  0.928  0.750  1.0
  Sn  Sn15  1  0.072  0.494  0.250  1.0
[/CIF]
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The material structure described by Pr3Sn5 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 9-coordinate geometry to one Sn(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. In the second Pr site, Pr(2) is bonded in a 10-coordinate geometry to two equivalent Sn(1), four equivalent Sn(2), and four equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Pr(1), four equivalent Pr(2), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to two equivalent Pr(1), four equivalent Pr(2), one Sn(1), one Sn(2), and two equivalent Sn(3) atoms. In the third Sn site, Sn(3) is bonded in a 9-coordinate geometry to two equivalent Pr(1), four equivalent Pr(2), one Sn(1), and two equivalent Sn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3Sn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.621
_cell_length_b   6.621
_cell_length_c   10.650
_cell_angle_alpha   89.986
_cell_angle_beta   89.986
_cell_angle_gamma   102.953
_symmetry_Int_Tables_number   1
_cell_volume   454.936
_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  0.637  0.637  0.250  1.0
  Pr  Pr1  1  0.363  0.363  0.750  1.0
  Pr  Pr2  1  0.201  0.799  0.500  1.0
  Pr  Pr3  1  0.201  0.799  1.000  1.0
  Pr  Pr4  1  0.799  0.201  0.500  1.0
  Pr  Pr5  1  0.799  0.201  1.000  1.0
  Sn  Sn6  1  0.027  0.027  0.250  1.0
  Sn  Sn7  1  0.973  0.973  0.750  1.0
  Sn  Sn8  1  0.323  0.323  0.049  1.0
  Sn  Sn9  1  0.677  0.677  0.951  1.0
  Sn  Sn10  1  0.323  0.323  0.451  1.0
  Sn  Sn11  1  0.677  0.677  0.549  1.0
  Sn  Sn12  1  0.494  0.072  0.250  1.0
  Sn  Sn13  1  0.928  0.506  0.750  1.0
  Sn  Sn14  1  0.506  0.928  0.750  1.0
  Sn  Sn15  1  0.072  0.494  0.250  1.0
[/CIF]
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