The material structure described by PrYSn6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Pr(1) is bonded to four equivalent Sn(1) and eight equivalent Sn(3) atoms to form PrSn12 cuboctahedra that share corners with four equivalent Pr(1)Sn12 cuboctahedra, corners with eight equivalent Y(1)Sn12 cuboctahedra, edges with eight equivalent Sn(2)Y4Sn8 cuboctahedra, faces with two equivalent Y(1)Sn12 cuboctahedra, and faces with four equivalent Pr(1)Sn12 cuboctahedra. Y(1) is bonded to four equivalent Sn(2) and eight equivalent Sn(3) atoms to form YSn12 cuboctahedra that share corners with four equivalent Y(1)Sn12 cuboctahedra, corners with eight equivalent Pr(1)Sn12 cuboctahedra, faces with two equivalent Pr(1)Sn12 cuboctahedra, faces with four equivalent Y(1)Sn12 cuboctahedra, and faces with four equivalent Sn(2)Y4Sn8 cuboctahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted square co-planar geometry to four equivalent Pr(1) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Y(1) and eight equivalent Sn(3) atoms to form distorted SnY4Sn8 cuboctahedra that share corners with four equivalent Sn(2)Y4Sn8 cuboctahedra, edges with eight equivalent Pr(1)Sn12 cuboctahedra, faces with four equivalent Y(1)Sn12 cuboctahedra, and faces with four equivalent Sn(2)Y4Sn8 cuboctahedra. In the third Sn site, Sn(3) is bonded in a distorted square co-planar geometry to two equivalent Pr(1), two equivalent Y(1), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_PrYSn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.787
_cell_length_b   4.787
_cell_length_c   9.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.991
_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  0.000  0.000  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.500  0.500  0.500  1.0
  Sn  Sn4  1  0.500  0.000  0.255  1.0
  Sn  Sn5  1  0.500  0.000  0.745  1.0
  Sn  Sn6  1  0.000  0.500  0.255  1.0
  Sn  Sn7  1  0.000  0.500  0.745  1.0
[/CIF]
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The material structure described by PrYSn6 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. Pr(1) is bonded to four equivalent Sn(1) and eight equivalent Sn(3) atoms to form PrSn12 cuboctahedra that share corners with four equivalent Pr(1)Sn12 cuboctahedra, corners with eight equivalent Y(1)Sn12 cuboctahedra, edges with eight equivalent Sn(2)Y4Sn8 cuboctahedra, faces with two equivalent Y(1)Sn12 cuboctahedra, and faces with four equivalent Pr(1)Sn12 cuboctahedra. Y(1) is bonded to four equivalent Sn(2) and eight equivalent Sn(3) atoms to form YSn12 cuboctahedra that share corners with four equivalent Y(1)Sn12 cuboctahedra, corners with eight equivalent Pr(1)Sn12 cuboctahedra, faces with two equivalent Pr(1)Sn12 cuboctahedra, faces with four equivalent Y(1)Sn12 cuboctahedra, and faces with four equivalent Sn(2)Y4Sn8 cuboctahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted square co-planar geometry to four equivalent Pr(1) atoms. In the second Sn site, Sn(2) is bonded to four equivalent Y(1) and eight equivalent Sn(3) atoms to form distorted SnY4Sn8 cuboctahedra that share corners with four equivalent Sn(2)Y4Sn8 cuboctahedra, edges with eight equivalent Pr(1)Sn12 cuboctahedra, faces with four equivalent Y(1)Sn12 cuboctahedra, and faces with four equivalent Sn(2)Y4Sn8 cuboctahedra. In the third Sn site, Sn(3) is bonded in a distorted square co-planar geometry to two equivalent Pr(1), two equivalent Y(1), and two equivalent Sn(2) atoms. is represented by the CIF card [CIF]
data_PrYSn6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.787
_cell_length_b   4.787
_cell_length_c   9.467
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.991
_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  0.000  0.000  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  Sn  Sn2  1  0.500  0.500  0.000  1.0
  Sn  Sn3  1  0.500  0.500  0.500  1.0
  Sn  Sn4  1  0.500  0.000  0.255  1.0
  Sn  Sn5  1  0.500  0.000  0.745  1.0
  Sn  Sn6  1  0.000  0.500  0.255  1.0
  Sn  Sn7  1  0.000  0.500  0.745  1.0
[/CIF]
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