The structure described by CsNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent Cl(2) atoms. Nd(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cs(1), one Nd(1), and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cs(1) and one O(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Nd(1) and one O(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1) and one Nd(1) atom. is represented by the CIF file [CIF]
data_CsNd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   8.688
_cell_length_c   8.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.104
_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
  Cs  Cs0  1  0.000  0.391  0.500  1.0
  Cs  Cs1  1  0.500  0.609  0.000  1.0
  Nd  Nd2  1  0.500  0.895  0.500  1.0
  Nd  Nd3  1  0.000  0.105  0.000  1.0
  Cl  Cl4  1  0.675  0.069  0.190  1.0
  Cl  Cl5  1  0.325  0.069  0.810  1.0
  Cl  Cl6  1  0.825  0.931  0.690  1.0
  Cl  Cl7  1  0.175  0.931  0.310  1.0
  Cl  Cl8  1  0.655  0.661  0.347  1.0
  Cl  Cl9  1  0.345  0.661  0.653  1.0
  Cl  Cl10  1  0.845  0.339  0.847  1.0
  Cl  Cl11  1  0.155  0.339  0.153  1.0
  O  O12  1  0.709  0.053  0.373  1.0
  O  O13  1  0.291  0.053  0.627  1.0
  O  O14  1  0.791  0.947  0.873  1.0
  O  O15  1  0.209  0.947  0.127  1.0
  O  O16  1  0.550  0.315  0.555  1.0
  O  O17  1  0.450  0.315  0.445  1.0
  O  O18  1  0.950  0.685  0.055  1.0
  O  O19  1  0.050  0.685  0.945  1.0
[/CIF]
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The structure described by CsNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent Cl(2) atoms. Nd(1) is bonded in a distorted octahedral geometry to two equivalent O(1), two equivalent Cl(1), and two equivalent Cl(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cs(1), one Nd(1), and one Cl(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cs(1) and one O(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one Nd(1) and one O(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent Cs(1) and one Nd(1) atom. is represented by the CIF file [CIF]
data_CsNd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   8.688
_cell_length_c   8.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   573.104
_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
  Cs  Cs0  1  0.000  0.391  0.500  1.0
  Cs  Cs1  1  0.500  0.609  0.000  1.0
  Nd  Nd2  1  0.500  0.895  0.500  1.0
  Nd  Nd3  1  0.000  0.105  0.000  1.0
  Cl  Cl4  1  0.675  0.069  0.190  1.0
  Cl  Cl5  1  0.325  0.069  0.810  1.0
  Cl  Cl6  1  0.825  0.931  0.690  1.0
  Cl  Cl7  1  0.175  0.931  0.310  1.0
  Cl  Cl8  1  0.655  0.661  0.347  1.0
  Cl  Cl9  1  0.345  0.661  0.653  1.0
  Cl  Cl10  1  0.845  0.339  0.847  1.0
  Cl  Cl11  1  0.155  0.339  0.153  1.0
  O  O12  1  0.709  0.053  0.373  1.0
  O  O13  1  0.291  0.053  0.627  1.0
  O  O14  1  0.791  0.947  0.873  1.0
  O  O15  1  0.209  0.947  0.127  1.0
  O  O16  1  0.550  0.315  0.555  1.0
  O  O17  1  0.450  0.315  0.445  1.0
  O  O18  1  0.950  0.685  0.055  1.0
  O  O19  1  0.050  0.685  0.945  1.0
[/CIF]
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