The structure described by Nd3Ta(O2Cl3)2 crystallizes in the hexagonal P6_3/m space group. Nd(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 Nd(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 Nd(1) atoms to form a mixture of distorted edge and corner-sharing ClNd4 tetrahedra. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to three equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_Nd3Ta(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.926
_cell_length_b   12.926
_cell_length_c   3.957
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   572.525
_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
  Nd  Nd0  1  0.719  0.115  0.750  1.0
  Nd  Nd1  1  0.281  0.885  0.250  1.0
  Nd  Nd2  1  0.396  0.281  0.750  1.0
  Nd  Nd3  1  0.604  0.719  0.250  1.0
  Nd  Nd4  1  0.885  0.604  0.750  1.0
  Nd  Nd5  1  0.115  0.396  0.250  1.0
  Ta  Ta6  1  0.333  0.667  0.750  1.0
  Ta  Ta7  1  0.667  0.333  0.250  1.0
  Cl  Cl8  1  0.930  0.373  0.750  1.0
  Cl  Cl9  1  0.070  0.627  0.250  1.0
  Cl  Cl10  1  0.443  0.070  0.750  1.0
  Cl  Cl11  1  0.557  0.930  0.250  1.0
  Cl  Cl12  1  0.627  0.557  0.750  1.0
  Cl  Cl13  1  0.373  0.443  0.250  1.0
  Cl  Cl14  1  0.751  0.894  0.750  1.0
  Cl  Cl15  1  0.249  0.106  0.250  1.0
  Cl  Cl16  1  0.143  0.249  0.750  1.0
  Cl  Cl17  1  0.857  0.751  0.250  1.0
  Cl  Cl18  1  0.106  0.857  0.750  1.0
  Cl  Cl19  1  0.894  0.143  0.250  1.0
  O  O20  1  0.492  0.692  0.750  1.0
  O  O21  1  0.508  0.308  0.250  1.0
  O  O22  1  0.200  0.508  0.750  1.0
  O  O23  1  0.800  0.492  0.250  1.0
  O  O24  1  0.308  0.800  0.750  1.0
  O  O25  1  0.692  0.200  0.250  1.0
  O  O26  1  0.667  0.333  0.750  1.0
  O  O27  1  0.333  0.667  0.250  1.0
[/CIF]
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The structure described by Nd3Ta(O2Cl3)2 crystallizes in the hexagonal P6_3/m space group. Nd(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 Nd(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 Nd(1) atoms to form a mixture of distorted edge and corner-sharing ClNd4 tetrahedra. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to three equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_Nd3Ta(Cl3O2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.926
_cell_length_b   12.926
_cell_length_c   3.957
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   572.525
_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
  Nd  Nd0  1  0.719  0.115  0.750  1.0
  Nd  Nd1  1  0.281  0.885  0.250  1.0
  Nd  Nd2  1  0.396  0.281  0.750  1.0
  Nd  Nd3  1  0.604  0.719  0.250  1.0
  Nd  Nd4  1  0.885  0.604  0.750  1.0
  Nd  Nd5  1  0.115  0.396  0.250  1.0
  Ta  Ta6  1  0.333  0.667  0.750  1.0
  Ta  Ta7  1  0.667  0.333  0.250  1.0
  Cl  Cl8  1  0.930  0.373  0.750  1.0
  Cl  Cl9  1  0.070  0.627  0.250  1.0
  Cl  Cl10  1  0.443  0.070  0.750  1.0
  Cl  Cl11  1  0.557  0.930  0.250  1.0
  Cl  Cl12  1  0.627  0.557  0.750  1.0
  Cl  Cl13  1  0.373  0.443  0.250  1.0
  Cl  Cl14  1  0.751  0.894  0.750  1.0
  Cl  Cl15  1  0.249  0.106  0.250  1.0
  Cl  Cl16  1  0.143  0.249  0.750  1.0
  Cl  Cl17  1  0.857  0.751  0.250  1.0
  Cl  Cl18  1  0.106  0.857  0.750  1.0
  Cl  Cl19  1  0.894  0.143  0.250  1.0
  O  O20  1  0.492  0.692  0.750  1.0
  O  O21  1  0.508  0.308  0.250  1.0
  O  O22  1  0.200  0.508  0.750  1.0
  O  O23  1  0.800  0.492  0.250  1.0
  O  O24  1  0.308  0.800  0.750  1.0
  O  O25  1  0.692  0.200  0.250  1.0
  O  O26  1  0.667  0.333  0.750  1.0
  O  O27  1  0.333  0.667  0.250  1.0
[/CIF]
.