The material structure described by CeLa(O2F)2 crystallizes in the hexagonal P-6m2 space group. Ce(1) is bonded in a 9-coordinate geometry to six equivalent O(2) and three equivalent F(1) atoms. La(1) is bonded in a 9-coordinate geometry to six equivalent O(1) and three equivalent F(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent La(1) and one O(2) atom to form a mixture of distorted face and corner-sharing OLa3O trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Ce(1) and one O(1) atom to form a mixture of distorted face and corner-sharing OCe3O tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCe(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.018
_cell_length_b   4.018
_cell_length_c   8.354
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   116.821
_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  0.333  0.667  0.500  1.0
  Ce  Ce1  1  0.333  0.667  0.000  1.0
  O  O2  1  0.667  0.334  0.336  1.0
  O  O3  1  0.666  0.333  0.846  1.0
  O  O4  1  0.666  0.333  0.154  1.0
  O  O5  1  0.667  0.334  0.664  1.0
  F  F6  1  1.000  1.000  0.000  1.0
  F  F7  1  1.000  1.000  0.500  1.0
[/CIF]
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The material structure described by CeLa(O2F)2 crystallizes in the hexagonal P-6m2 space group. Ce(1) is bonded in a 9-coordinate geometry to six equivalent O(2) and three equivalent F(1) atoms. La(1) is bonded in a 9-coordinate geometry to six equivalent O(1) and three equivalent F(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent La(1) and one O(2) atom to form a mixture of distorted face and corner-sharing OLa3O trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Ce(1) and one O(1) atom to form a mixture of distorted face and corner-sharing OCe3O tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent Ce(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaCe(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.018
_cell_length_b   4.018
_cell_length_c   8.354
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   116.821
_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  0.333  0.667  0.500  1.0
  Ce  Ce1  1  0.333  0.667  0.000  1.0
  O  O2  1  0.667  0.334  0.336  1.0
  O  O3  1  0.666  0.333  0.846  1.0
  O  O4  1  0.666  0.333  0.154  1.0
  O  O5  1  0.667  0.334  0.664  1.0
  F  F6  1  1.000  1.000  0.000  1.0
  F  F7  1  1.000  1.000  0.500  1.0
[/CIF]
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