The material described by Na2Pr4NOBr9 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one Br(1), one Br(2), one Br(3), one Br(6), one Br(8), and one Br(9) atom to form a mixture of distorted corner and edge-sharing NaBr6 pentagonal pyramids. In the second Na site, Na(2) is bonded to one Br(1), one Br(2), one Br(3), one Br(5), one Br(8), and one Br(9) atom to form a mixture of distorted corner and edge-sharing NaBr6 pentagonal pyramids. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one N(1), one O(1), one Br(1), one Br(2), one Br(3), one Br(5), one Br(6), and one Br(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one N(1), one O(1), one Br(1), one Br(2), one Br(3), one Br(4), one Br(8), and one Br(9) atom. In the third Pr site, Pr(3) is bonded in a 2-coordinate geometry to one N(1), one O(1), one Br(1), one Br(2), one Br(4), one Br(5), one Br(6), one Br(7), and one Br(9) atom. In the fourth Pr site, Pr(4) is bonded in a 2-coordinate geometry to one N(1), one O(1), one Br(1), one Br(2), one Br(4), one Br(5), one Br(6), one Br(7), and one Br(8) atom. N(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form NPr4 tetrahedra that share edges with two equivalent O(1)Pr4 tetrahedra. O(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form OPr4 tetrahedra that share edges with two equivalent N(1)Pr4 tetrahedra. There are nine inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Pr(1), and one Pr(2) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Pr(2), one Pr(3), and one Pr(4) atom. In the fifth Br site, Br(5) is bonded in a distorted see-saw-like geometry to one Na(2), one Pr(1), one Pr(3), and one Pr(4) atom. In the sixth Br site, Br(6) is bonded in a 4-coordinate geometry to one Na(1), one Pr(1), one Pr(3), and one Pr(4) atom. In the seventh Br site, Br(7) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(3), and one Pr(4) atom. In the eighth Br site, Br(8) is bonded in a see-saw-like geometry to one Na(1), one Na(2), one Pr(2), and one Pr(4) atom. In the ninth Br site, Br(9) is bonded in a see-saw-like geometry to one Na(1), one Na(2), one Pr(2), and one Pr(3) atom. is represented by the CIF card [CIF]
data_Na2Pr4Br9NO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.826
_cell_length_b   8.801
_cell_length_c   9.847
_cell_angle_alpha   73.516
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   982.797
_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
  Na  Na0  1  0.990  0.720  0.573  1.0
  Na  Na1  1  0.513  0.721  0.572  1.0
  Na  Na2  1  0.490  0.280  0.427  1.0
  Na  Na3  1  0.013  0.279  0.428  1.0
  Pr  Pr4  1  0.752  0.907  0.836  1.0
  Pr  Pr5  1  0.752  0.894  0.211  1.0
  Pr  Pr6  1  0.038  0.795  0.047  1.0
  Pr  Pr7  1  0.452  0.800  0.046  1.0
  Pr  Pr8  1  0.538  0.205  0.953  1.0
  Pr  Pr9  1  0.952  0.200  0.954  1.0
  Pr  Pr10  1  0.252  0.106  0.789  1.0
  Pr  Pr11  1  0.252  0.093  0.164  1.0
  Br  Br12  1  0.005  0.992  0.305  1.0
  Br  Br13  1  0.499  0.993  0.304  1.0
  Br  Br14  1  0.752  0.853  0.534  1.0
  Br  Br15  1  0.250  0.753  0.855  1.0
  Br  Br16  1  0.596  0.617  0.881  1.0
  Br  Br17  1  0.904  0.614  0.878  1.0
  Br  Br18  1  0.250  0.733  0.261  1.0
  Br  Br19  1  0.590  0.603  0.310  1.0
  Br  Br20  1  0.911  0.600  0.314  1.0
  Br  Br21  1  0.090  0.397  0.690  1.0
  Br  Br22  1  0.411  0.400  0.686  1.0
  Br  Br23  1  0.750  0.267  0.739  1.0
  Br  Br24  1  0.404  0.386  0.122  1.0
  Br  Br25  1  0.096  0.383  0.119  1.0
  Br  Br26  1  0.750  0.247  0.145  1.0
  Br  Br27  1  0.252  0.147  0.466  1.0
  Br  Br28  1  0.505  0.008  0.695  1.0
  Br  Br29  1  0.999  0.007  0.696  1.0
  N  N30  1  0.874  0.943  0.015  1.0
  N  N31  1  0.374  0.057  0.985  1.0
  O  O32  1  0.623  0.944  0.015  1.0
  O  O33  1  0.123  0.056  0.985  1.0
[/CIF]
.
The material described by Na2Pr4NOBr9 crystallizes in the monoclinic P2_1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one Br(1), one Br(2), one Br(3), one Br(6), one Br(8), and one Br(9) atom to form a mixture of distorted corner and edge-sharing NaBr6 pentagonal pyramids. In the second Na site, Na(2) is bonded to one Br(1), one Br(2), one Br(3), one Br(5), one Br(8), and one Br(9) atom to form a mixture of distorted corner and edge-sharing NaBr6 pentagonal pyramids. There are four inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 8-coordinate geometry to one N(1), one O(1), one Br(1), one Br(2), one Br(3), one Br(5), one Br(6), and one Br(7) atom. In the second Pr site, Pr(2) is bonded in a 8-coordinate geometry to one N(1), one O(1), one Br(1), one Br(2), one Br(3), one Br(4), one Br(8), and one Br(9) atom. In the third Pr site, Pr(3) is bonded in a 2-coordinate geometry to one N(1), one O(1), one Br(1), one Br(2), one Br(4), one Br(5), one Br(6), one Br(7), and one Br(9) atom. In the fourth Pr site, Pr(4) is bonded in a 2-coordinate geometry to one N(1), one O(1), one Br(1), one Br(2), one Br(4), one Br(5), one Br(6), one Br(7), and one Br(8) atom. N(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form NPr4 tetrahedra that share edges with two equivalent O(1)Pr4 tetrahedra. O(1) is bonded to one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom to form OPr4 tetrahedra that share edges with two equivalent N(1)Pr4 tetrahedra. There are nine inequivalent Br sites. In the first Br site, Br(1) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to one Na(1), one Na(2), one Pr(1), one Pr(2), one Pr(3), and one Pr(4) atom. In the third Br site, Br(3) is bonded in a rectangular see-saw-like geometry to one Na(1), one Na(2), one Pr(1), and one Pr(2) atom. In the fourth Br site, Br(4) is bonded in a 3-coordinate geometry to one Pr(2), one Pr(3), and one Pr(4) atom. In the fifth Br site, Br(5) is bonded in a distorted see-saw-like geometry to one Na(2), one Pr(1), one Pr(3), and one Pr(4) atom. In the sixth Br site, Br(6) is bonded in a 4-coordinate geometry to one Na(1), one Pr(1), one Pr(3), and one Pr(4) atom. In the seventh Br site, Br(7) is bonded in a 3-coordinate geometry to one Pr(1), one Pr(3), and one Pr(4) atom. In the eighth Br site, Br(8) is bonded in a see-saw-like geometry to one Na(1), one Na(2), one Pr(2), and one Pr(4) atom. In the ninth Br site, Br(9) is bonded in a see-saw-like geometry to one Na(1), one Na(2), one Pr(2), and one Pr(3) atom. is represented by the CIF card [CIF]
data_Na2Pr4Br9NO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.826
_cell_length_b   8.801
_cell_length_c   9.847
_cell_angle_alpha   73.516
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   982.797
_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
  Na  Na0  1  0.990  0.720  0.573  1.0
  Na  Na1  1  0.513  0.721  0.572  1.0
  Na  Na2  1  0.490  0.280  0.427  1.0
  Na  Na3  1  0.013  0.279  0.428  1.0
  Pr  Pr4  1  0.752  0.907  0.836  1.0
  Pr  Pr5  1  0.752  0.894  0.211  1.0
  Pr  Pr6  1  0.038  0.795  0.047  1.0
  Pr  Pr7  1  0.452  0.800  0.046  1.0
  Pr  Pr8  1  0.538  0.205  0.953  1.0
  Pr  Pr9  1  0.952  0.200  0.954  1.0
  Pr  Pr10  1  0.252  0.106  0.789  1.0
  Pr  Pr11  1  0.252  0.093  0.164  1.0
  Br  Br12  1  0.005  0.992  0.305  1.0
  Br  Br13  1  0.499  0.993  0.304  1.0
  Br  Br14  1  0.752  0.853  0.534  1.0
  Br  Br15  1  0.250  0.753  0.855  1.0
  Br  Br16  1  0.596  0.617  0.881  1.0
  Br  Br17  1  0.904  0.614  0.878  1.0
  Br  Br18  1  0.250  0.733  0.261  1.0
  Br  Br19  1  0.590  0.603  0.310  1.0
  Br  Br20  1  0.911  0.600  0.314  1.0
  Br  Br21  1  0.090  0.397  0.690  1.0
  Br  Br22  1  0.411  0.400  0.686  1.0
  Br  Br23  1  0.750  0.267  0.739  1.0
  Br  Br24  1  0.404  0.386  0.122  1.0
  Br  Br25  1  0.096  0.383  0.119  1.0
  Br  Br26  1  0.750  0.247  0.145  1.0
  Br  Br27  1  0.252  0.147  0.466  1.0
  Br  Br28  1  0.505  0.008  0.695  1.0
  Br  Br29  1  0.999  0.007  0.696  1.0
  N  N30  1  0.874  0.943  0.015  1.0
  N  N31  1  0.374  0.057  0.985  1.0
  O  O32  1  0.623  0.944  0.015  1.0
  O  O33  1  0.123  0.056  0.985  1.0
[/CIF]
.