The crystal structure described by Pr2ZrSe5 crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. Zr(1) is bonded to one Se(1), one Se(2), one Se(3), and four equivalent Se(4) atoms to form distorted edge-sharing ZrSe7 pentagonal bipyramids. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Pr(1) and one Zr(1) atom to form distorted SePr4Zr trigonal bipyramids that share corners with five equivalent Se(3)Pr4Zr square pyramids,  a cornercorner with one Se(2)Pr4Zr trigonal bipyramid, corners with four equivalent Se(1)Pr4Zr trigonal bipyramids, corners with four equivalent Se(4)Pr2Zr2 trigonal pyramids, edges with two equivalent Se(3)Pr4Zr square pyramids, edges with four equivalent Se(2)Pr4Zr trigonal bipyramids, and edges with four equivalent Se(4)Pr2Zr2 trigonal pyramids. In the second Se site, Se(2) is bonded to four equivalent Pr(1) and one Zr(1) atom to form distorted SePr4Zr trigonal bipyramids that share corners with four equivalent Se(3)Pr4Zr square pyramids,  a cornercorner with one Se(1)Pr4Zr trigonal bipyramid, corners with four equivalent Se(2)Pr4Zr trigonal bipyramids, corners with four equivalent Se(4)Pr2Zr2 trigonal pyramids,  an edgeedge with one Se(3)Pr4Zr square pyramid, edges with four equivalent Se(1)Pr4Zr trigonal bipyramids, edges with four equivalent Se(4)Pr2Zr2 trigonal pyramids, and  a faceface with one Se(3)Pr4Zr square pyramid. In the third Se site, Se(3) is bonded to four equivalent Pr(1) and one Zr(1) atom to form SePr4Zr square pyramids that share corners with four equivalent Se(2)Pr4Zr trigonal bipyramids, corners with five equivalent Se(1)Pr4Zr trigonal bipyramids, corners with eight equivalent Se(4)Pr2Zr2 trigonal pyramids, edges with two equivalent Se(3)Pr4Zr square pyramids,  an edgeedge with one Se(2)Pr4Zr trigonal bipyramid, edges with two equivalent Se(1)Pr4Zr trigonal bipyramids, edges with two equivalent Se(4)Pr2Zr2 trigonal pyramids, and  a faceface with one Se(2)Pr4Zr trigonal bipyramid. In the fourth Se site, Se(4) is bonded to two equivalent Pr(1) and two equivalent Zr(1) atoms to form distorted SePr2Zr2 trigonal pyramids that share corners with four equivalent Se(3)Pr4Zr square pyramids, corners with two equivalent Se(1)Pr4Zr trigonal bipyramids, corners with two equivalent Se(2)Pr4Zr trigonal bipyramids, corners with six equivalent Se(4)Pr2Zr2 trigonal pyramids,  an edgeedge with one Se(3)Pr4Zr square pyramid, edges with two equivalent Se(1)Pr4Zr trigonal bipyramids, edges with two equivalent Se(2)Pr4Zr trigonal bipyramids, and  an edgeedge with one Se(4)Pr2Zr2 trigonal pyramid. is represented by the CIF file [CIF]
data_Pr2ZrSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.773
_cell_length_b   8.390
_cell_length_c   12.248
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   798.847
_cell_formula_units_Z   4
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  0.465  0.498  0.177  1.0
  Pr  Pr1  1  0.035  0.002  0.677  1.0
  Pr  Pr2  1  0.535  0.998  0.823  1.0
  Pr  Pr3  1  0.965  0.502  0.323  1.0
  Pr  Pr4  1  0.535  0.502  0.823  1.0
  Pr  Pr5  1  0.965  0.998  0.323  1.0
  Pr  Pr6  1  0.465  0.002  0.177  1.0
  Pr  Pr7  1  0.035  0.498  0.677  1.0
  Zr  Zr8  1  0.923  0.750  0.008  1.0
  Zr  Zr9  1  0.577  0.750  0.508  1.0
  Zr  Zr10  1  0.077  0.250  0.992  1.0
  Zr  Zr11  1  0.423  0.250  0.492  1.0
  Se  Se12  1  0.157  0.750  0.183  1.0
  Se  Se13  1  0.343  0.750  0.683  1.0
  Se  Se14  1  0.843  0.250  0.817  1.0
  Se  Se15  1  0.657  0.250  0.317  1.0
  Se  Se16  1  0.678  0.750  0.293  1.0
  Se  Se17  1  0.822  0.750  0.793  1.0
  Se  Se18  1  0.322  0.250  0.707  1.0
  Se  Se19  1  0.178  0.250  0.207  1.0
  Se  Se20  1  0.555  0.750  0.005  1.0
  Se  Se21  1  0.945  0.750  0.505  1.0
  Se  Se22  1  0.445  0.250  0.995  1.0
  Se  Se23  1  0.055  0.250  0.495  1.0
  Se  Se24  1  0.834  0.463  0.085  1.0
  Se  Se25  1  0.666  0.037  0.585  1.0
  Se  Se26  1  0.166  0.963  0.915  1.0
  Se  Se27  1  0.334  0.537  0.415  1.0
  Se  Se28  1  0.166  0.537  0.915  1.0
  Se  Se29  1  0.334  0.963  0.415  1.0
  Se  Se30  1  0.834  0.037  0.085  1.0
  Se  Se31  1  0.666  0.463  0.585  1.0
[/CIF]
.
The crystal structure described by Pr2ZrSe5 crystallizes in the orthorhombic Pnma space group. Pr(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(3), and two equivalent Se(4) atoms. Zr(1) is bonded to one Se(1), one Se(2), one Se(3), and four equivalent Se(4) atoms to form distorted edge-sharing ZrSe7 pentagonal bipyramids. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to four equivalent Pr(1) and one Zr(1) atom to form distorted SePr4Zr trigonal bipyramids that share corners with five equivalent Se(3)Pr4Zr square pyramids,  a cornercorner with one Se(2)Pr4Zr trigonal bipyramid, corners with four equivalent Se(1)Pr4Zr trigonal bipyramids, corners with four equivalent Se(4)Pr2Zr2 trigonal pyramids, edges with two equivalent Se(3)Pr4Zr square pyramids, edges with four equivalent Se(2)Pr4Zr trigonal bipyramids, and edges with four equivalent Se(4)Pr2Zr2 trigonal pyramids. In the second Se site, Se(2) is bonded to four equivalent Pr(1) and one Zr(1) atom to form distorted SePr4Zr trigonal bipyramids that share corners with four equivalent Se(3)Pr4Zr square pyramids,  a cornercorner with one Se(1)Pr4Zr trigonal bipyramid, corners with four equivalent Se(2)Pr4Zr trigonal bipyramids, corners with four equivalent Se(4)Pr2Zr2 trigonal pyramids,  an edgeedge with one Se(3)Pr4Zr square pyramid, edges with four equivalent Se(1)Pr4Zr trigonal bipyramids, edges with four equivalent Se(4)Pr2Zr2 trigonal pyramids, and  a faceface with one Se(3)Pr4Zr square pyramid. In the third Se site, Se(3) is bonded to four equivalent Pr(1) and one Zr(1) atom to form SePr4Zr square pyramids that share corners with four equivalent Se(2)Pr4Zr trigonal bipyramids, corners with five equivalent Se(1)Pr4Zr trigonal bipyramids, corners with eight equivalent Se(4)Pr2Zr2 trigonal pyramids, edges with two equivalent Se(3)Pr4Zr square pyramids,  an edgeedge with one Se(2)Pr4Zr trigonal bipyramid, edges with two equivalent Se(1)Pr4Zr trigonal bipyramids, edges with two equivalent Se(4)Pr2Zr2 trigonal pyramids, and  a faceface with one Se(2)Pr4Zr trigonal bipyramid. In the fourth Se site, Se(4) is bonded to two equivalent Pr(1) and two equivalent Zr(1) atoms to form distorted SePr2Zr2 trigonal pyramids that share corners with four equivalent Se(3)Pr4Zr square pyramids, corners with two equivalent Se(1)Pr4Zr trigonal bipyramids, corners with two equivalent Se(2)Pr4Zr trigonal bipyramids, corners with six equivalent Se(4)Pr2Zr2 trigonal pyramids,  an edgeedge with one Se(3)Pr4Zr square pyramid, edges with two equivalent Se(1)Pr4Zr trigonal bipyramids, edges with two equivalent Se(2)Pr4Zr trigonal bipyramids, and  an edgeedge with one Se(4)Pr2Zr2 trigonal pyramid. is represented by the CIF file [CIF]
data_Pr2ZrSe5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.773
_cell_length_b   8.390
_cell_length_c   12.248
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   798.847
_cell_formula_units_Z   4
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  0.465  0.498  0.177  1.0
  Pr  Pr1  1  0.035  0.002  0.677  1.0
  Pr  Pr2  1  0.535  0.998  0.823  1.0
  Pr  Pr3  1  0.965  0.502  0.323  1.0
  Pr  Pr4  1  0.535  0.502  0.823  1.0
  Pr  Pr5  1  0.965  0.998  0.323  1.0
  Pr  Pr6  1  0.465  0.002  0.177  1.0
  Pr  Pr7  1  0.035  0.498  0.677  1.0
  Zr  Zr8  1  0.923  0.750  0.008  1.0
  Zr  Zr9  1  0.577  0.750  0.508  1.0
  Zr  Zr10  1  0.077  0.250  0.992  1.0
  Zr  Zr11  1  0.423  0.250  0.492  1.0
  Se  Se12  1  0.157  0.750  0.183  1.0
  Se  Se13  1  0.343  0.750  0.683  1.0
  Se  Se14  1  0.843  0.250  0.817  1.0
  Se  Se15  1  0.657  0.250  0.317  1.0
  Se  Se16  1  0.678  0.750  0.293  1.0
  Se  Se17  1  0.822  0.750  0.793  1.0
  Se  Se18  1  0.322  0.250  0.707  1.0
  Se  Se19  1  0.178  0.250  0.207  1.0
  Se  Se20  1  0.555  0.750  0.005  1.0
  Se  Se21  1  0.945  0.750  0.505  1.0
  Se  Se22  1  0.445  0.250  0.995  1.0
  Se  Se23  1  0.055  0.250  0.495  1.0
  Se  Se24  1  0.834  0.463  0.085  1.0
  Se  Se25  1  0.666  0.037  0.585  1.0
  Se  Se26  1  0.166  0.963  0.915  1.0
  Se  Se27  1  0.334  0.537  0.415  1.0
  Se  Se28  1  0.166  0.537  0.915  1.0
  Se  Se29  1  0.334  0.963  0.415  1.0
  Se  Se30  1  0.834  0.037  0.085  1.0
  Se  Se31  1  0.666  0.463  0.585  1.0
[/CIF]
.