The structure described by Pr4N2Se3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Pr site, Pr(2) is bonded in a 2-coordinate geometry to two equivalent N(1), one Se(2), and four equivalent Se(1) atoms. N(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form NPr4 tetrahedra that share corners with two equivalent Se(2)Pr6 octahedra, corners with six equivalent Se(1)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra, edges with two equivalent Se(2)Pr6 octahedra, edges with three equivalent Se(1)Pr6 octahedra, and  an edgeedge with one N(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-81°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Pr(1) and four equivalent Pr(2) atoms to form distorted SePr6 octahedra that share corners with two equivalent Se(1)Pr6 octahedra, corners with five equivalent Se(2)Pr6 octahedra, corners with six equivalent N(1)Pr4 tetrahedra, edges with six equivalent Se(1)Pr6 octahedra, edges with three equivalent N(1)Pr4 tetrahedra, and  a faceface with one Se(2)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 19-63°. In the second Se site, Se(2) is bonded to two equivalent Pr(2) and four equivalent Pr(1) atoms to form SePr6 octahedra that share corners with ten equivalent Se(1)Pr6 octahedra, corners with four equivalent N(1)Pr4 tetrahedra, edges with two equivalent Se(2)Pr6 octahedra, edges with four equivalent N(1)Pr4 tetrahedra, and faces with two equivalent Se(1)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 29-63°. is represented by the CIF card [CIF]
data_Pr4Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   8.394
_cell_length_c   8.394
_cell_angle_alpha   75.653
_cell_angle_beta   90.175
_cell_angle_gamma   90.175
_symmetry_Int_Tables_number   1
_cell_volume   445.649
_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  0.428  0.585  0.744  1.0
  Pr  Pr1  1  0.072  0.256  0.415  1.0
  Pr  Pr2  1  0.572  0.415  0.256  1.0
  Pr  Pr3  1  0.928  0.744  0.585  1.0
  Pr  Pr4  1  0.470  0.943  0.309  1.0
  Pr  Pr5  1  0.030  0.691  0.057  1.0
  Pr  Pr6  1  0.530  0.057  0.691  1.0
  Pr  Pr7  1  0.970  0.309  0.943  1.0
  Se  Se8  1  0.965  0.985  0.247  1.0
  Se  Se9  1  0.750  0.403  0.597  1.0
  Se  Se10  1  0.535  0.753  0.015  1.0
  Se  Se11  1  0.035  0.015  0.753  1.0
  Se  Se12  1  0.250  0.597  0.403  1.0
  Se  Se13  1  0.465  0.247  0.985  1.0
  N  N14  1  0.585  0.830  0.582  1.0
  N  N15  1  0.085  0.582  0.830  1.0
  N  N16  1  0.415  0.170  0.418  1.0
  N  N17  1  0.915  0.418  0.170  1.0
[/CIF]
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The structure described by Pr4N2Se3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 6-coordinate geometry to two equivalent N(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Pr site, Pr(2) is bonded in a 2-coordinate geometry to two equivalent N(1), one Se(2), and four equivalent Se(1) atoms. N(1) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form NPr4 tetrahedra that share corners with two equivalent Se(2)Pr6 octahedra, corners with six equivalent Se(1)Pr6 octahedra, corners with two equivalent N(1)Pr4 tetrahedra, edges with two equivalent Se(2)Pr6 octahedra, edges with three equivalent Se(1)Pr6 octahedra, and  an edgeedge with one N(1)Pr4 tetrahedra. The corner-sharing octahedral tilt angles range from 25-81°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to two equivalent Pr(1) and four equivalent Pr(2) atoms to form distorted SePr6 octahedra that share corners with two equivalent Se(1)Pr6 octahedra, corners with five equivalent Se(2)Pr6 octahedra, corners with six equivalent N(1)Pr4 tetrahedra, edges with six equivalent Se(1)Pr6 octahedra, edges with three equivalent N(1)Pr4 tetrahedra, and  a faceface with one Se(2)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 19-63°. In the second Se site, Se(2) is bonded to two equivalent Pr(2) and four equivalent Pr(1) atoms to form SePr6 octahedra that share corners with ten equivalent Se(1)Pr6 octahedra, corners with four equivalent N(1)Pr4 tetrahedra, edges with two equivalent Se(2)Pr6 octahedra, edges with four equivalent N(1)Pr4 tetrahedra, and faces with two equivalent Se(1)Pr6 octahedra. The corner-sharing octahedral tilt angles range from 29-63°. is represented by the CIF card [CIF]
data_Pr4Se3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   8.394
_cell_length_c   8.394
_cell_angle_alpha   75.653
_cell_angle_beta   90.175
_cell_angle_gamma   90.175
_symmetry_Int_Tables_number   1
_cell_volume   445.649
_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  0.428  0.585  0.744  1.0
  Pr  Pr1  1  0.072  0.256  0.415  1.0
  Pr  Pr2  1  0.572  0.415  0.256  1.0
  Pr  Pr3  1  0.928  0.744  0.585  1.0
  Pr  Pr4  1  0.470  0.943  0.309  1.0
  Pr  Pr5  1  0.030  0.691  0.057  1.0
  Pr  Pr6  1  0.530  0.057  0.691  1.0
  Pr  Pr7  1  0.970  0.309  0.943  1.0
  Se  Se8  1  0.965  0.985  0.247  1.0
  Se  Se9  1  0.750  0.403  0.597  1.0
  Se  Se10  1  0.535  0.753  0.015  1.0
  Se  Se11  1  0.035  0.015  0.753  1.0
  Se  Se12  1  0.250  0.597  0.403  1.0
  Se  Se13  1  0.465  0.247  0.985  1.0
  N  N14  1  0.585  0.830  0.582  1.0
  N  N15  1  0.085  0.582  0.830  1.0
  N  N16  1  0.415  0.170  0.418  1.0
  N  N17  1  0.915  0.418  0.170  1.0
[/CIF]
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