The material described by Ce3Ta(O2Cl3)2 crystallizes in the hexagonal P6_3/m space group. Ce(1) is bonded in a 2-coordinate geometry to two equivalent O(1), three equivalent Cl(2), and four equivalent Cl(1) atoms. Ta(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form corner-sharing TaO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ce(1) and one Ta(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ta(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Ce(1) atoms to form a mixture of distorted corner and edge-sharing ClCe4 tetrahedra. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to three equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_Ce3Ta(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.962
_cell_length_b   12.980
_cell_length_c   12.980
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.067
_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  0.750  0.719  0.115  1.0
  Ce  Ce1  1  0.250  0.281  0.885  1.0
  Ce  Ce2  1  0.750  0.396  0.281  1.0
  Ce  Ce3  1  0.250  0.604  0.719  1.0
  Ce  Ce4  1  0.750  0.885  0.604  1.0
  Ce  Ce5  1  0.250  0.115  0.396  1.0
  Ta  Ta6  1  0.750  0.333  0.667  1.0
  Ta  Ta7  1  0.250  0.667  0.333  1.0
  Cl  Cl8  1  0.750  0.931  0.372  1.0
  Cl  Cl9  1  0.250  0.069  0.628  1.0
  Cl  Cl10  1  0.750  0.441  0.069  1.0
  Cl  Cl11  1  0.250  0.559  0.931  1.0
  Cl  Cl12  1  0.750  0.628  0.559  1.0
  Cl  Cl13  1  0.250  0.372  0.441  1.0
  Cl  Cl14  1  0.750  0.751  0.894  1.0
  Cl  Cl15  1  0.250  0.249  0.106  1.0
  Cl  Cl16  1  0.750  0.143  0.249  1.0
  Cl  Cl17  1  0.250  0.857  0.751  1.0
  Cl  Cl18  1  0.750  0.106  0.857  1.0
  Cl  Cl19  1  0.250  0.894  0.143  1.0
  O  O20  1  0.750  0.492  0.692  1.0
  O  O21  1  0.250  0.508  0.308  1.0
  O  O22  1  0.750  0.201  0.508  1.0
  O  O23  1  0.250  0.799  0.492  1.0
  O  O24  1  0.750  0.308  0.799  1.0
  O  O25  1  0.250  0.692  0.201  1.0
  O  O26  1  0.750  0.667  0.333  1.0
  O  O27  1  0.250  0.333  0.667  1.0
[/CIF]
.
The material described by Ce3Ta(O2Cl3)2 crystallizes in the hexagonal P6_3/m space group. Ce(1) is bonded in a 2-coordinate geometry to two equivalent O(1), three equivalent Cl(2), and four equivalent Cl(1) atoms. Ta(1) is bonded to two equivalent O(2) and three equivalent O(1) atoms to form corner-sharing TaO5 trigonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Ce(1) and one Ta(1) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ta(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent Ce(1) atoms to form a mixture of distorted corner and edge-sharing ClCe4 tetrahedra. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to three equivalent Ce(1) atoms. is represented by the CIF card [CIF]
data_Ce3Ta(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.962
_cell_length_b   12.980
_cell_length_c   12.980
_cell_angle_alpha   120.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.067
_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  0.750  0.719  0.115  1.0
  Ce  Ce1  1  0.250  0.281  0.885  1.0
  Ce  Ce2  1  0.750  0.396  0.281  1.0
  Ce  Ce3  1  0.250  0.604  0.719  1.0
  Ce  Ce4  1  0.750  0.885  0.604  1.0
  Ce  Ce5  1  0.250  0.115  0.396  1.0
  Ta  Ta6  1  0.750  0.333  0.667  1.0
  Ta  Ta7  1  0.250  0.667  0.333  1.0
  Cl  Cl8  1  0.750  0.931  0.372  1.0
  Cl  Cl9  1  0.250  0.069  0.628  1.0
  Cl  Cl10  1  0.750  0.441  0.069  1.0
  Cl  Cl11  1  0.250  0.559  0.931  1.0
  Cl  Cl12  1  0.750  0.628  0.559  1.0
  Cl  Cl13  1  0.250  0.372  0.441  1.0
  Cl  Cl14  1  0.750  0.751  0.894  1.0
  Cl  Cl15  1  0.250  0.249  0.106  1.0
  Cl  Cl16  1  0.750  0.143  0.249  1.0
  Cl  Cl17  1  0.250  0.857  0.751  1.0
  Cl  Cl18  1  0.750  0.106  0.857  1.0
  Cl  Cl19  1  0.250  0.894  0.143  1.0
  O  O20  1  0.750  0.492  0.692  1.0
  O  O21  1  0.250  0.508  0.308  1.0
  O  O22  1  0.750  0.201  0.508  1.0
  O  O23  1  0.250  0.799  0.492  1.0
  O  O24  1  0.750  0.308  0.799  1.0
  O  O25  1  0.250  0.692  0.201  1.0
  O  O26  1  0.750  0.667  0.333  1.0
  O  O27  1  0.250  0.333  0.667  1.0
[/CIF]
.