The structure described by Ce2NBr3 crystallizes in the tetragonal I4_1/a space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to two equivalent N(1), one Br(3), two equivalent Br(1), and two equivalent Br(2) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent N(1), one Br(1), two equivalent Br(2), and three equivalent Br(3) atoms. N(1) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form NCe4 tetrahedra that share corners with four equivalent Br(2)Ce4 trigonal pyramids, edges with two equivalent N(1)Ce4 tetrahedra, and edges with two equivalent Br(2)Ce4 trigonal pyramids. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a T-shaped geometry to one Ce(2) and two equivalent Ce(1) atoms. In the second Br site, Br(3) is bonded in a distorted see-saw-like geometry to one Ce(1) and three equivalent Ce(2) atoms. In the third Br site, Br(2) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form distorted BrCe4 trigonal pyramids that share corners with four equivalent N(1)Ce4 tetrahedra, corners with four equivalent Br(2)Ce4 trigonal pyramids, and edges with two equivalent N(1)Ce4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Br3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.055
_cell_length_b   12.055
_cell_length_c   12.055
_cell_angle_alpha   104.429
_cell_angle_beta   104.429
_cell_angle_gamma   120.108
_symmetry_Int_Tables_number   1
_cell_volume   1313.298
_cell_formula_units_Z   8
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
  Ce  Ce0  1  0.221  0.618  0.845  1.0
  Ce  Ce1  1  0.391  0.470  0.759  1.0
  Ce  Ce2  1  0.711  0.132  0.741  1.0
  Ce  Ce3  1  0.779  0.382  0.155  1.0
  Ce  Ce4  1  0.030  0.789  0.421  1.0
  Ce  Ce5  1  0.118  0.273  0.897  1.0
  Ce  Ce6  1  0.773  0.876  0.655  1.0
  Ce  Ce7  1  0.624  0.279  0.397  1.0
  Ce  Ce8  1  0.376  0.721  0.603  1.0
  Ce  Ce9  1  0.289  0.868  0.259  1.0
  Ce  Ce10  1  0.970  0.211  0.579  1.0
  Ce  Ce11  1  0.227  0.124  0.345  1.0
  Ce  Ce12  1  0.632  0.891  0.921  1.0
  Ce  Ce13  1  0.368  0.109  0.079  1.0
  Ce  Ce14  1  0.882  0.727  0.103  1.0
  Ce  Ce15  1  0.609  0.530  0.241  1.0
  Br  Br16  1  0.932  0.012  0.164  1.0
  Br  Br17  1  0.847  0.268  0.336  1.0
  Br  Br18  1  0.113  0.598  0.324  1.0
  Br  Br19  1  0.530  0.089  0.909  1.0
  Br  Br20  1  0.488  0.653  0.420  1.0
  Br  Br21  1  0.181  0.122  0.591  1.0
  Br  Br22  1  0.274  0.289  0.176  1.0
  Br  Br23  1  0.411  0.319  0.941  1.0
  Br  Br24  1  0.378  0.970  0.559  1.0
  Br  Br25  1  0.470  0.911  0.091  1.0
  Br  Br26  1  0.902  0.226  0.015  1.0
  Br  Br27  1  0.068  0.988  0.836  1.0
  Br  Br28  1  0.153  0.732  0.664  1.0
  Br  Br29  1  0.098  0.774  0.985  1.0
  Br  Br30  1  0.232  0.568  0.080  1.0
  Br  Br31  1  0.512  0.347  0.580  1.0
  Br  Br32  1  0.887  0.402  0.676  1.0
  Br  Br33  1  0.768  0.432  0.920  1.0
  Br  Br34  1  0.819  0.878  0.409  1.0
  Br  Br35  1  0.789  0.613  0.515  1.0
  Br  Br36  1  0.589  0.681  0.059  1.0
  Br  Br37  1  0.211  0.387  0.485  1.0
  Br  Br38  1  0.726  0.711  0.824  1.0
  Br  Br39  1  0.622  0.030  0.441  1.0
  N  N40  1  0.895  0.122  0.715  1.0
  N  N41  1  0.378  0.093  0.273  1.0
  N  N42  1  0.180  0.395  0.773  1.0
  N  N43  1  0.622  0.907  0.727  1.0
  N  N44  1  0.407  0.680  0.785  1.0
  N  N45  1  0.105  0.878  0.285  1.0
  N  N46  1  0.593  0.320  0.215  1.0
  N  N47  1  0.820  0.605  0.227  1.0
[/CIF]
.
The structure described by Ce2NBr3 crystallizes in the tetragonal I4_1/a space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 7-coordinate geometry to two equivalent N(1), one Br(3), two equivalent Br(1), and two equivalent Br(2) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent N(1), one Br(1), two equivalent Br(2), and three equivalent Br(3) atoms. N(1) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form NCe4 tetrahedra that share corners with four equivalent Br(2)Ce4 trigonal pyramids, edges with two equivalent N(1)Ce4 tetrahedra, and edges with two equivalent Br(2)Ce4 trigonal pyramids. There are three inequivalent Br sites. In the first Br site, Br(1) is bonded in a T-shaped geometry to one Ce(2) and two equivalent Ce(1) atoms. In the second Br site, Br(3) is bonded in a distorted see-saw-like geometry to one Ce(1) and three equivalent Ce(2) atoms. In the third Br site, Br(2) is bonded to two equivalent Ce(1) and two equivalent Ce(2) atoms to form distorted BrCe4 trigonal pyramids that share corners with four equivalent N(1)Ce4 tetrahedra, corners with four equivalent Br(2)Ce4 trigonal pyramids, and edges with two equivalent N(1)Ce4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce2Br3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.055
_cell_length_b   12.055
_cell_length_c   12.055
_cell_angle_alpha   104.429
_cell_angle_beta   104.429
_cell_angle_gamma   120.108
_symmetry_Int_Tables_number   1
_cell_volume   1313.298
_cell_formula_units_Z   8
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
  Ce  Ce0  1  0.221  0.618  0.845  1.0
  Ce  Ce1  1  0.391  0.470  0.759  1.0
  Ce  Ce2  1  0.711  0.132  0.741  1.0
  Ce  Ce3  1  0.779  0.382  0.155  1.0
  Ce  Ce4  1  0.030  0.789  0.421  1.0
  Ce  Ce5  1  0.118  0.273  0.897  1.0
  Ce  Ce6  1  0.773  0.876  0.655  1.0
  Ce  Ce7  1  0.624  0.279  0.397  1.0
  Ce  Ce8  1  0.376  0.721  0.603  1.0
  Ce  Ce9  1  0.289  0.868  0.259  1.0
  Ce  Ce10  1  0.970  0.211  0.579  1.0
  Ce  Ce11  1  0.227  0.124  0.345  1.0
  Ce  Ce12  1  0.632  0.891  0.921  1.0
  Ce  Ce13  1  0.368  0.109  0.079  1.0
  Ce  Ce14  1  0.882  0.727  0.103  1.0
  Ce  Ce15  1  0.609  0.530  0.241  1.0
  Br  Br16  1  0.932  0.012  0.164  1.0
  Br  Br17  1  0.847  0.268  0.336  1.0
  Br  Br18  1  0.113  0.598  0.324  1.0
  Br  Br19  1  0.530  0.089  0.909  1.0
  Br  Br20  1  0.488  0.653  0.420  1.0
  Br  Br21  1  0.181  0.122  0.591  1.0
  Br  Br22  1  0.274  0.289  0.176  1.0
  Br  Br23  1  0.411  0.319  0.941  1.0
  Br  Br24  1  0.378  0.970  0.559  1.0
  Br  Br25  1  0.470  0.911  0.091  1.0
  Br  Br26  1  0.902  0.226  0.015  1.0
  Br  Br27  1  0.068  0.988  0.836  1.0
  Br  Br28  1  0.153  0.732  0.664  1.0
  Br  Br29  1  0.098  0.774  0.985  1.0
  Br  Br30  1  0.232  0.568  0.080  1.0
  Br  Br31  1  0.512  0.347  0.580  1.0
  Br  Br32  1  0.887  0.402  0.676  1.0
  Br  Br33  1  0.768  0.432  0.920  1.0
  Br  Br34  1  0.819  0.878  0.409  1.0
  Br  Br35  1  0.789  0.613  0.515  1.0
  Br  Br36  1  0.589  0.681  0.059  1.0
  Br  Br37  1  0.211  0.387  0.485  1.0
  Br  Br38  1  0.726  0.711  0.824  1.0
  Br  Br39  1  0.622  0.030  0.441  1.0
  N  N40  1  0.895  0.122  0.715  1.0
  N  N41  1  0.378  0.093  0.273  1.0
  N  N42  1  0.180  0.395  0.773  1.0
  N  N43  1  0.622  0.907  0.727  1.0
  N  N44  1  0.407  0.680  0.785  1.0
  N  N45  1  0.105  0.878  0.285  1.0
  N  N46  1  0.593  0.320  0.215  1.0
  N  N47  1  0.820  0.605  0.227  1.0
[/CIF]
.