The material structure described by RbNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. Rb(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 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 bent 120 degrees geometry to one Rb(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Rb(1), 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 Rb(1) and one Nd(1) atom. is represented by the CIF card [CIF]
data_RbNd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.167
_cell_length_b   8.367
_cell_length_c   8.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   529.299
_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
  Rb  Rb0  1  0.000  0.108  0.000  1.0
  Rb  Rb1  1  0.500  0.892  0.500  1.0
  Nd  Nd2  1  0.000  0.403  0.500  1.0
  Nd  Nd3  1  0.500  0.597  0.000  1.0
  Cl  Cl4  1  0.172  0.581  0.204  1.0
  Cl  Cl5  1  0.828  0.581  0.795  1.0
  Cl  Cl6  1  0.328  0.419  0.705  1.0
  Cl  Cl7  1  0.672  0.419  0.295  1.0
  Cl  Cl8  1  0.144  0.160  0.337  1.0
  Cl  Cl9  1  0.856  0.160  0.663  1.0
  Cl  Cl10  1  0.356  0.840  0.837  1.0
  Cl  Cl11  1  0.644  0.840  0.163  1.0
  O  O12  1  0.443  0.178  0.052  1.0
  O  O13  1  0.557  0.178  0.948  1.0
  O  O14  1  0.057  0.822  0.552  1.0
  O  O15  1  0.943  0.822  0.448  1.0
  O  O16  1  0.235  0.564  0.387  1.0
  O  O17  1  0.765  0.564  0.613  1.0
  O  O18  1  0.265  0.436  0.887  1.0
  O  O19  1  0.735  0.436  0.113  1.0
[/CIF]
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The material structure described by RbNd(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. Rb(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 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 bent 120 degrees geometry to one Rb(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Rb(1), 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 Rb(1) and one Nd(1) atom. is represented by the CIF card [CIF]
data_RbNd(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.167
_cell_length_b   8.367
_cell_length_c   8.826
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   529.299
_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
  Rb  Rb0  1  0.000  0.108  0.000  1.0
  Rb  Rb1  1  0.500  0.892  0.500  1.0
  Nd  Nd2  1  0.000  0.403  0.500  1.0
  Nd  Nd3  1  0.500  0.597  0.000  1.0
  Cl  Cl4  1  0.172  0.581  0.204  1.0
  Cl  Cl5  1  0.828  0.581  0.795  1.0
  Cl  Cl6  1  0.328  0.419  0.705  1.0
  Cl  Cl7  1  0.672  0.419  0.295  1.0
  Cl  Cl8  1  0.144  0.160  0.337  1.0
  Cl  Cl9  1  0.856  0.160  0.663  1.0
  Cl  Cl10  1  0.356  0.840  0.837  1.0
  Cl  Cl11  1  0.644  0.840  0.163  1.0
  O  O12  1  0.443  0.178  0.052  1.0
  O  O13  1  0.557  0.178  0.948  1.0
  O  O14  1  0.057  0.822  0.552  1.0
  O  O15  1  0.943  0.822  0.448  1.0
  O  O16  1  0.235  0.564  0.387  1.0
  O  O17  1  0.765  0.564  0.613  1.0
  O  O18  1  0.265  0.436  0.887  1.0
  O  O19  1  0.735  0.436  0.113  1.0
[/CIF]
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