The material described by RbPr(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. Pr(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 Rb(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one Pr(1), and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Pr(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 Pr(1) atom. is represented by the CIF card [CIF]
data_RbPr(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.164
_cell_length_b   8.021
_cell_length_c   8.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.914
_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  0.105  0.000  1.0
  Rb  Rb1  1  0.500  0.895  0.500  1.0
  Pr  Pr2  1  0.000  0.427  0.500  1.0
  Pr  Pr3  1  0.500  0.573  0.000  1.0
  Cl  Cl4  1  0.182  0.610  0.227  1.0
  Cl  Cl5  1  0.818  0.610  0.773  1.0
  Cl  Cl6  1  0.318  0.390  0.727  1.0
  Cl  Cl7  1  0.682  0.390  0.273  1.0
  Cl  Cl8  1  0.155  0.173  0.339  1.0
  Cl  Cl9  1  0.845  0.173  0.661  1.0
  Cl  Cl10  1  0.345  0.827  0.839  1.0
  Cl  Cl11  1  0.655  0.827  0.161  1.0
  O  O12  1  0.442  0.171  0.053  1.0
  O  O13  1  0.558  0.171  0.947  1.0
  O  O14  1  0.058  0.829  0.553  1.0
  O  O15  1  0.942  0.829  0.447  1.0
  O  O16  1  0.263  0.582  0.403  1.0
  O  O17  1  0.737  0.582  0.597  1.0
  O  O18  1  0.237  0.418  0.903  1.0
  O  O19  1  0.763  0.418  0.097  1.0
[/CIF]
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The material described by RbPr(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. Pr(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 Rb(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Rb(1), one Pr(1), and one Cl(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to one Pr(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 Pr(1) atom. is represented by the CIF card [CIF]
data_RbPr(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.164
_cell_length_b   8.021
_cell_length_c   8.786
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.914
_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  0.105  0.000  1.0
  Rb  Rb1  1  0.500  0.895  0.500  1.0
  Pr  Pr2  1  0.000  0.427  0.500  1.0
  Pr  Pr3  1  0.500  0.573  0.000  1.0
  Cl  Cl4  1  0.182  0.610  0.227  1.0
  Cl  Cl5  1  0.818  0.610  0.773  1.0
  Cl  Cl6  1  0.318  0.390  0.727  1.0
  Cl  Cl7  1  0.682  0.390  0.273  1.0
  Cl  Cl8  1  0.155  0.173  0.339  1.0
  Cl  Cl9  1  0.845  0.173  0.661  1.0
  Cl  Cl10  1  0.345  0.827  0.839  1.0
  Cl  Cl11  1  0.655  0.827  0.161  1.0
  O  O12  1  0.442  0.171  0.053  1.0
  O  O13  1  0.558  0.171  0.947  1.0
  O  O14  1  0.058  0.829  0.553  1.0
  O  O15  1  0.942  0.829  0.447  1.0
  O  O16  1  0.263  0.582  0.403  1.0
  O  O17  1  0.737  0.582  0.597  1.0
  O  O18  1  0.237  0.418  0.903  1.0
  O  O19  1  0.763  0.418  0.097  1.0
[/CIF]
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