The compound described by KNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent Cl(2) atoms. Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(2), 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 distorted bent 120 degrees geometry to one K(1) and one O(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Nd(1) and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted water-like geometry to one Nd(1) and one O(2) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Nd(1) atom. is represented by the CIF file [CIF]
data_KNd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.272
_cell_length_b   8.220
_cell_length_c   8.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.227
_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
  K  K0  1  0.000  0.076  0.000  1.0
  K  K1  1  0.500  0.924  0.500  1.0
  Nd  Nd2  1  0.000  0.419  0.500  1.0
  Nd  Nd3  1  0.500  0.581  0.000  1.0
  Cl  Cl4  1  0.166  0.607  0.196  1.0
  Cl  Cl5  1  0.834  0.607  0.804  1.0
  Cl  Cl6  1  0.334  0.393  0.696  1.0
  Cl  Cl7  1  0.666  0.393  0.304  1.0
  Cl  Cl8  1  0.138  0.170  0.327  1.0
  Cl  Cl9  1  0.862  0.170  0.673  1.0
  Cl  Cl10  1  0.362  0.830  0.827  1.0
  Cl  Cl11  1  0.638  0.830  0.173  1.0
  O  O12  1  0.437  0.174  0.049  1.0
  O  O13  1  0.563  0.174  0.951  1.0
  O  O14  1  0.063  0.826  0.549  1.0
  O  O15  1  0.937  0.826  0.451  1.0
  O  O16  1  0.237  0.575  0.382  1.0
  O  O17  1  0.763  0.575  0.618  1.0
  O  O18  1  0.263  0.425  0.882  1.0
  O  O19  1  0.737  0.425  0.118  1.0
[/CIF]
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The compound described by KNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent Cl(2) atoms. Nd(1) is bonded in a 6-coordinate geometry to two equivalent O(2), 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 distorted bent 120 degrees geometry to one K(1) and one O(1) atom. In the second O site, O(2) is bonded in a water-like geometry to one Nd(1) and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted water-like geometry to one Nd(1) and one O(2) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent K(1) and one Nd(1) atom. is represented by the CIF file [CIF]
data_KNd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.272
_cell_length_b   8.220
_cell_length_c   8.469
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   506.227
_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
  K  K0  1  0.000  0.076  0.000  1.0
  K  K1  1  0.500  0.924  0.500  1.0
  Nd  Nd2  1  0.000  0.419  0.500  1.0
  Nd  Nd3  1  0.500  0.581  0.000  1.0
  Cl  Cl4  1  0.166  0.607  0.196  1.0
  Cl  Cl5  1  0.834  0.607  0.804  1.0
  Cl  Cl6  1  0.334  0.393  0.696  1.0
  Cl  Cl7  1  0.666  0.393  0.304  1.0
  Cl  Cl8  1  0.138  0.170  0.327  1.0
  Cl  Cl9  1  0.862  0.170  0.673  1.0
  Cl  Cl10  1  0.362  0.830  0.827  1.0
  Cl  Cl11  1  0.638  0.830  0.173  1.0
  O  O12  1  0.437  0.174  0.049  1.0
  O  O13  1  0.563  0.174  0.951  1.0
  O  O14  1  0.063  0.826  0.549  1.0
  O  O15  1  0.937  0.826  0.451  1.0
  O  O16  1  0.237  0.575  0.382  1.0
  O  O17  1  0.763  0.575  0.618  1.0
  O  O18  1  0.263  0.425  0.882  1.0
  O  O19  1  0.737  0.425  0.118  1.0
[/CIF]
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