The structure described by Sr(PrSe2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded to eight equivalent Se(1) atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent Pr(1)Se8 hexagonal bipyramids, edges with four equivalent Sr(1)Se8 hexagonal bipyramids, and faces with eight equivalent Pr(1)Se8 hexagonal bipyramids. Pr(1) is bonded to eight equivalent Se(1) atoms to form distorted PrSe8 hexagonal bipyramids that share corners with four equivalent Sr(1)Se8 hexagonal bipyramids, corners with four equivalent Pr(1)Se8 hexagonal bipyramids, edges with four equivalent Pr(1)Se8 hexagonal bipyramids, faces with four equivalent Sr(1)Se8 hexagonal bipyramids, and faces with four equivalent Pr(1)Se8 hexagonal bipyramids. Se(1) is bonded to two equivalent Sr(1) and four equivalent Pr(1) atoms to form a mixture of distorted corner, face, and edge-sharing SeSr2Pr4 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. is represented by the CIF file [CIF]
data_Sr(PrSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.878
_cell_length_b   7.878
_cell_length_c   7.878
_cell_angle_alpha   109.448
_cell_angle_beta   109.518
_cell_angle_gamma   109.448
_symmetry_Int_Tables_number   1
_cell_volume   376.338
_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
  Sr  Sr0  1  0.125  0.750  0.875  1.0
  Sr  Sr1  1  0.375  0.250  0.625  1.0
  Pr  Pr2  1  0.250  0.627  0.377  1.0
  Pr  Pr3  1  0.623  0.373  0.250  1.0
  Pr  Pr4  1  0.750  0.873  0.123  1.0
  Pr  Pr5  1  0.877  0.127  0.750  1.0
  Se  Se6  1  0.143  0.151  0.143  1.0
  Se  Se7  1  0.508  0.999  0.357  1.0
  Se  Se8  1  0.357  0.501  0.008  1.0
  Se  Se9  1  0.508  0.001  0.857  1.0
  Se  Se10  1  0.643  0.651  0.643  1.0
  Se  Se11  1  0.992  0.849  0.492  1.0
  Se  Se12  1  0.857  0.499  0.008  1.0
  Se  Se13  1  0.992  0.349  0.492  1.0
[/CIF]
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The structure described by Sr(PrSe2)2 crystallizes in the tetragonal I-42d space group. Sr(1) is bonded to eight equivalent Se(1) atoms to form distorted SrSe8 hexagonal bipyramids that share corners with eight equivalent Pr(1)Se8 hexagonal bipyramids, edges with four equivalent Sr(1)Se8 hexagonal bipyramids, and faces with eight equivalent Pr(1)Se8 hexagonal bipyramids. Pr(1) is bonded to eight equivalent Se(1) atoms to form distorted PrSe8 hexagonal bipyramids that share corners with four equivalent Sr(1)Se8 hexagonal bipyramids, corners with four equivalent Pr(1)Se8 hexagonal bipyramids, edges with four equivalent Pr(1)Se8 hexagonal bipyramids, faces with four equivalent Sr(1)Se8 hexagonal bipyramids, and faces with four equivalent Pr(1)Se8 hexagonal bipyramids. Se(1) is bonded to two equivalent Sr(1) and four equivalent Pr(1) atoms to form a mixture of distorted corner, face, and edge-sharing SeSr2Pr4 octahedra. The corner-sharing octahedral tilt angles range from 16-51°. is represented by the CIF file [CIF]
data_Sr(PrSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.878
_cell_length_b   7.878
_cell_length_c   7.878
_cell_angle_alpha   109.448
_cell_angle_beta   109.518
_cell_angle_gamma   109.448
_symmetry_Int_Tables_number   1
_cell_volume   376.338
_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
  Sr  Sr0  1  0.125  0.750  0.875  1.0
  Sr  Sr1  1  0.375  0.250  0.625  1.0
  Pr  Pr2  1  0.250  0.627  0.377  1.0
  Pr  Pr3  1  0.623  0.373  0.250  1.0
  Pr  Pr4  1  0.750  0.873  0.123  1.0
  Pr  Pr5  1  0.877  0.127  0.750  1.0
  Se  Se6  1  0.143  0.151  0.143  1.0
  Se  Se7  1  0.508  0.999  0.357  1.0
  Se  Se8  1  0.357  0.501  0.008  1.0
  Se  Se9  1  0.508  0.001  0.857  1.0
  Se  Se10  1  0.643  0.651  0.643  1.0
  Se  Se11  1  0.992  0.849  0.492  1.0
  Se  Se12  1  0.857  0.499  0.008  1.0
  Se  Se13  1  0.992  0.349  0.492  1.0
[/CIF]
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