The crystal structure described by Ce3NF6 crystallizes in the triclinic P1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one N(1), one F(1), one F(2), one F(4), one F(5), two equivalent F(3), and two equivalent F(6) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent N(1), one F(1), one F(3), one F(4), one F(6), and two equivalent F(2) atoms. In the third Ce site, Ce(3) is bonded in a 8-coordinate geometry to one N(1), one F(2), one F(4), one F(6), two equivalent F(1), and two equivalent F(5) atoms. N(1) is bonded to one Ce(1), one Ce(3), and two equivalent Ce(2) atoms to form NCe4 tetrahedra that share  a cornercorner with one F(6)Ce4 tetrahedra, corners with two equivalent N(1)Ce4 tetrahedra, corners with two equivalent F(2)Ce4 tetrahedra, corners with five equivalent F(1)Ce4 tetrahedra, edges with two equivalent F(2)Ce4 tetrahedra, and edges with two equivalent F(6)Ce4 tetrahedra. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form FCe4 tetrahedra that share  a cornercorner with one F(2)Ce4 tetrahedra,  a cornercorner with one F(6)Ce4 tetrahedra, corners with two equivalent F(1)Ce4 tetrahedra, corners with five equivalent N(1)Ce4 tetrahedra, edges with two equivalent F(2)Ce4 tetrahedra, and edges with two equivalent F(6)Ce4 tetrahedra. In the second F site, F(2) is bonded to one Ce(1), one Ce(3), and two equivalent Ce(2) atoms to form FCe4 tetrahedra that share  a cornercorner with one F(1)Ce4 tetrahedra, corners with two equivalent N(1)Ce4 tetrahedra, corners with two equivalent F(2)Ce4 tetrahedra, corners with five equivalent F(6)Ce4 tetrahedra, edges with two equivalent N(1)Ce4 tetrahedra, and edges with two equivalent F(1)Ce4 tetrahedra. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ce(2) and two equivalent Ce(1) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Ce(1) and two equivalent Ce(3) atoms. In the sixth F site, F(6) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form FCe4 tetrahedra that share  a cornercorner with one N(1)Ce4 tetrahedra,  a cornercorner with one F(1)Ce4 tetrahedra, corners with two equivalent F(6)Ce4 tetrahedra, corners with five equivalent F(2)Ce4 tetrahedra, edges with two equivalent N(1)Ce4 tetrahedra, and edges with two equivalent F(1)Ce4 tetrahedra. is represented by the CIF card [CIF]
data_Ce3NF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.024
_cell_length_b   5.931
_cell_length_c   7.148
_cell_angle_alpha   114.160
_cell_angle_beta   104.565
_cell_angle_gamma   89.944
_symmetry_Int_Tables_number   1
_cell_volume   149.640
_cell_formula_units_Z   1
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  0.000  0.991  0.975  1.0
  Ce  Ce1  1  0.367  0.291  0.664  1.0
  Ce  Ce2  1  0.659  0.692  0.362  1.0
  N  N3  1  0.891  0.054  0.672  1.0
  F  F4  1  0.159  0.443  0.374  1.0
  F  F5  1  0.830  0.562  0.659  1.0
  F  F6  1  0.460  0.741  0.913  1.0
  F  F7  1  0.478  0.064  0.310  1.0
  F  F8  1  0.038  0.688  0.153  1.0
  F  F9  1  0.526  0.268  0.020  1.0
[/CIF]
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The crystal structure described by Ce3NF6 crystallizes in the triclinic P1 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 9-coordinate geometry to one N(1), one F(1), one F(2), one F(4), one F(5), two equivalent F(3), and two equivalent F(6) atoms. In the second Ce site, Ce(2) is bonded in a 8-coordinate geometry to two equivalent N(1), one F(1), one F(3), one F(4), one F(6), and two equivalent F(2) atoms. In the third Ce site, Ce(3) is bonded in a 8-coordinate geometry to one N(1), one F(2), one F(4), one F(6), two equivalent F(1), and two equivalent F(5) atoms. N(1) is bonded to one Ce(1), one Ce(3), and two equivalent Ce(2) atoms to form NCe4 tetrahedra that share  a cornercorner with one F(6)Ce4 tetrahedra, corners with two equivalent N(1)Ce4 tetrahedra, corners with two equivalent F(2)Ce4 tetrahedra, corners with five equivalent F(1)Ce4 tetrahedra, edges with two equivalent F(2)Ce4 tetrahedra, and edges with two equivalent F(6)Ce4 tetrahedra. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form FCe4 tetrahedra that share  a cornercorner with one F(2)Ce4 tetrahedra,  a cornercorner with one F(6)Ce4 tetrahedra, corners with two equivalent F(1)Ce4 tetrahedra, corners with five equivalent N(1)Ce4 tetrahedra, edges with two equivalent F(2)Ce4 tetrahedra, and edges with two equivalent F(6)Ce4 tetrahedra. In the second F site, F(2) is bonded to one Ce(1), one Ce(3), and two equivalent Ce(2) atoms to form FCe4 tetrahedra that share  a cornercorner with one F(1)Ce4 tetrahedra, corners with two equivalent N(1)Ce4 tetrahedra, corners with two equivalent F(2)Ce4 tetrahedra, corners with five equivalent F(6)Ce4 tetrahedra, edges with two equivalent N(1)Ce4 tetrahedra, and edges with two equivalent F(1)Ce4 tetrahedra. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ce(2) and two equivalent Ce(1) atoms. In the fourth F site, F(4) is bonded in a trigonal non-coplanar geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the fifth F site, F(5) is bonded in a trigonal non-coplanar geometry to one Ce(1) and two equivalent Ce(3) atoms. In the sixth F site, F(6) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form FCe4 tetrahedra that share  a cornercorner with one N(1)Ce4 tetrahedra,  a cornercorner with one F(1)Ce4 tetrahedra, corners with two equivalent F(6)Ce4 tetrahedra, corners with five equivalent F(2)Ce4 tetrahedra, edges with two equivalent N(1)Ce4 tetrahedra, and edges with two equivalent F(1)Ce4 tetrahedra. is represented by the CIF card [CIF]
data_Ce3NF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.024
_cell_length_b   5.931
_cell_length_c   7.148
_cell_angle_alpha   114.160
_cell_angle_beta   104.565
_cell_angle_gamma   89.944
_symmetry_Int_Tables_number   1
_cell_volume   149.640
_cell_formula_units_Z   1
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  0.000  0.991  0.975  1.0
  Ce  Ce1  1  0.367  0.291  0.664  1.0
  Ce  Ce2  1  0.659  0.692  0.362  1.0
  N  N3  1  0.891  0.054  0.672  1.0
  F  F4  1  0.159  0.443  0.374  1.0
  F  F5  1  0.830  0.562  0.659  1.0
  F  F6  1  0.460  0.741  0.913  1.0
  F  F7  1  0.478  0.064  0.310  1.0
  F  F8  1  0.038  0.688  0.153  1.0
  F  F9  1  0.526  0.268  0.020  1.0
[/CIF]
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