The material described by CeLaF6 crystallizes in the orthorhombic Amm2 space group. Ce(1) is bonded in a 11-coordinate geometry to two equivalent F(4), three equivalent F(2), and six equivalent F(3) atoms. La(1) is bonded in a 11-coordinate geometry to two equivalent F(3), three equivalent F(1), and six equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one La(1) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Ce(1) and three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.211
_cell_length_b   4.211
_cell_length_c   7.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.950
_symmetry_Int_Tables_number   1
_cell_volume   111.635
_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
  La  La0  1  0.670  0.330  0.000  1.0
  Ce  Ce1  1  0.328  0.672  0.500  1.0
  F  F2  1  0.001  0.999  0.000  1.0
  F  F3  1  0.999  0.001  0.500  1.0
  F  F4  1  0.668  0.332  0.670  1.0
  F  F5  1  0.333  0.667  0.827  1.0
  F  F6  1  0.333  0.667  0.173  1.0
  F  F7  1  0.668  0.332  0.330  1.0
[/CIF]
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The material described by CeLaF6 crystallizes in the orthorhombic Amm2 space group. Ce(1) is bonded in a 11-coordinate geometry to two equivalent F(4), three equivalent F(2), and six equivalent F(3) atoms. La(1) is bonded in a 11-coordinate geometry to two equivalent F(3), three equivalent F(1), and six equivalent F(4) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. In the third F site, F(3) is bonded in a 4-coordinate geometry to three equivalent Ce(1) and one La(1) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Ce(1) and three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCeF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.211
_cell_length_b   4.211
_cell_length_c   7.421
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.950
_symmetry_Int_Tables_number   1
_cell_volume   111.635
_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
  La  La0  1  0.670  0.330  0.000  1.0
  Ce  Ce1  1  0.328  0.672  0.500  1.0
  F  F2  1  0.001  0.999  0.000  1.0
  F  F3  1  0.999  0.001  0.500  1.0
  F  F4  1  0.668  0.332  0.670  1.0
  F  F5  1  0.333  0.667  0.827  1.0
  F  F6  1  0.333  0.667  0.173  1.0
  F  F7  1  0.668  0.332  0.330  1.0
[/CIF]
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