The compound described by PrN2 crystallizes in the monoclinic Cm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(4), one N(5), two equivalent N(3), and two equivalent N(6) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one N(1), one N(4), one N(6), two equivalent N(2), and two equivalent N(5) atoms. In the third Pr site, Pr(3) is bonded to one N(2), one N(3), one N(4), one N(5), and two equivalent N(1) atoms to form distorted corner-sharing PrN6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are six inequivalent N sites. In the first N site, N(1) is bonded to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms to form distorted corner-sharing NPr4 trigonal pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(3), two equivalent Pr(2), and one N(5) atom. In the third N site, N(3) is bonded in a distorted square co-planar geometry to one Pr(3), two equivalent Pr(1), and one N(6) atom. In the fourth N site, N(4) is bonded in a distorted T-shaped geometry to one Pr(1), one Pr(2), and one Pr(3) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(3), two equivalent Pr(2), and one N(2) atom. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one N(3) atom. is represented by the CIF card [CIF]
data_PrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.991
_cell_length_b   6.682
_cell_length_c   6.257
_cell_angle_alpha   65.624
_cell_angle_beta   90.007
_cell_angle_gamma   111.942
_symmetry_Int_Tables_number   1
_cell_volume   173.333
_cell_formula_units_Z   3
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  0.639  0.279  0.074  1.0
  Pr  Pr1  1  0.824  0.647  0.475  1.0
  Pr  Pr2  1  0.417  0.834  0.830  1.0
  N  N3  1  0.846  0.692  0.818  1.0
  N  N4  1  0.383  0.766  0.264  1.0
  N  N5  1  0.180  0.360  0.118  1.0
  N  N6  1  0.621  0.242  0.731  1.0
  N  N7  1  0.396  0.791  0.452  1.0
  N  N8  1  0.072  0.145  0.195  1.0
[/CIF]
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The compound described by PrN2 crystallizes in the monoclinic Cm space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one N(1), one N(2), one N(4), one N(5), two equivalent N(3), and two equivalent N(6) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one N(1), one N(4), one N(6), two equivalent N(2), and two equivalent N(5) atoms. In the third Pr site, Pr(3) is bonded to one N(2), one N(3), one N(4), one N(5), and two equivalent N(1) atoms to form distorted corner-sharing PrN6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are six inequivalent N sites. In the first N site, N(1) is bonded to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms to form distorted corner-sharing NPr4 trigonal pyramids. In the second N site, N(2) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(3), two equivalent Pr(2), and one N(5) atom. In the third N site, N(3) is bonded in a distorted square co-planar geometry to one Pr(3), two equivalent Pr(1), and one N(6) atom. In the fourth N site, N(4) is bonded in a distorted T-shaped geometry to one Pr(1), one Pr(2), and one Pr(3) atom. In the fifth N site, N(5) is bonded in a 5-coordinate geometry to one Pr(1), one Pr(3), two equivalent Pr(2), and one N(2) atom. In the sixth N site, N(6) is bonded in a 4-coordinate geometry to one Pr(2), two equivalent Pr(1), and one N(3) atom. is represented by the CIF card [CIF]
data_PrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.991
_cell_length_b   6.682
_cell_length_c   6.257
_cell_angle_alpha   65.624
_cell_angle_beta   90.007
_cell_angle_gamma   111.942
_symmetry_Int_Tables_number   1
_cell_volume   173.333
_cell_formula_units_Z   3
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  0.639  0.279  0.074  1.0
  Pr  Pr1  1  0.824  0.647  0.475  1.0
  Pr  Pr2  1  0.417  0.834  0.830  1.0
  N  N3  1  0.846  0.692  0.818  1.0
  N  N4  1  0.383  0.766  0.264  1.0
  N  N5  1  0.180  0.360  0.118  1.0
  N  N6  1  0.621  0.242  0.731  1.0
  N  N7  1  0.396  0.791  0.452  1.0
  N  N8  1  0.072  0.145  0.195  1.0
[/CIF]
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