The crystal structure described by CeF3 is Sodium arsenide structured and crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(3), two equivalent F(4), and four equivalent F(1) atoms. In the second Ce site, Ce(2) is bonded in a 11-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(1), two equivalent F(3), and four equivalent F(4) atoms. In the third Ce site, Ce(3) is bonded in a 11-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(1), two equivalent F(4), and four equivalent F(3) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form a mixture of distorted face, corner, and edge-sharing FCe4 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the third F site, F(3) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form a mixture of distorted face, corner, and edge-sharing FCe4 tetrahedra. In the fourth F site, F(4) is bonded to one Ce(1), one Ce(3), and two equivalent Ce(2) atoms to form a mixture of distorted face, corner, and edge-sharing FCe4 tetrahedra. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ce(1), one Ce(2), and one Ce(3) atom. is represented by the CIF file [CIF]
data_CeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.103
_cell_length_b   4.105
_cell_length_c   7.228
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.958
_symmetry_Int_Tables_number   1
_cell_volume   105.501
_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
  Ce  Ce0  1  0.333  0.665  0.250  1.0
  Ce  Ce1  1  0.667  0.335  0.750  1.0
  F  F2  1  0.667  0.333  0.421  1.0
  F  F3  1  0.333  0.667  0.921  1.0
  F  F4  1  0.333  0.667  0.579  1.0
  F  F5  1  0.000  0.001  0.750  1.0
  F  F6  1  1.000  0.999  0.250  1.0
  F  F7  1  0.667  0.333  0.079  1.0
[/CIF]
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The crystal structure described by CeF3 is Sodium arsenide structured and crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 11-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(3), two equivalent F(4), and four equivalent F(1) atoms. In the second Ce site, Ce(2) is bonded in a 11-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(1), two equivalent F(3), and four equivalent F(4) atoms. In the third Ce site, Ce(3) is bonded in a 11-coordinate geometry to one F(2), one F(5), one F(6), two equivalent F(1), two equivalent F(4), and four equivalent F(3) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Ce(2), one Ce(3), and two equivalent Ce(1) atoms to form a mixture of distorted face, corner, and edge-sharing FCe4 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the third F site, F(3) is bonded to one Ce(1), one Ce(2), and two equivalent Ce(3) atoms to form a mixture of distorted face, corner, and edge-sharing FCe4 tetrahedra. In the fourth F site, F(4) is bonded to one Ce(1), one Ce(3), and two equivalent Ce(2) atoms to form a mixture of distorted face, corner, and edge-sharing FCe4 tetrahedra. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Ce(1), one Ce(2), and one Ce(3) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one Ce(1), one Ce(2), and one Ce(3) atom. is represented by the CIF file [CIF]
data_CeF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.103
_cell_length_b   4.105
_cell_length_c   7.228
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.958
_symmetry_Int_Tables_number   1
_cell_volume   105.501
_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
  Ce  Ce0  1  0.333  0.665  0.250  1.0
  Ce  Ce1  1  0.667  0.335  0.750  1.0
  F  F2  1  0.667  0.333  0.421  1.0
  F  F3  1  0.333  0.667  0.921  1.0
  F  F4  1  0.333  0.667  0.579  1.0
  F  F5  1  0.000  0.001  0.750  1.0
  F  F6  1  1.000  0.999  0.250  1.0
  F  F7  1  0.667  0.333  0.079  1.0
[/CIF]
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