The material structure described by KPr(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. K(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 2-coordinate geometry to one K(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one K(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 distorted water-like 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 K(1) and one Pr(1) atom. is represented by the CIF card [CIF]
data_KPr(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.094
_cell_length_b   7.901
_cell_length_c   8.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.061
_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  0.099  0.000  1.0
  K  K1  1  0.500  0.901  0.500  1.0
  Pr  Pr2  1  0.000  0.429  0.500  1.0
  Pr  Pr3  1  0.500  0.571  0.000  1.0
  Cl  Cl4  1  0.176  0.616  0.216  1.0
  Cl  Cl5  1  0.824  0.616  0.784  1.0
  Cl  Cl6  1  0.324  0.384  0.716  1.0
  Cl  Cl7  1  0.676  0.384  0.284  1.0
  Cl  Cl8  1  0.148  0.170  0.332  1.0
  Cl  Cl9  1  0.852  0.170  0.668  1.0
  Cl  Cl10  1  0.352  0.830  0.832  1.0
  Cl  Cl11  1  0.648  0.830  0.168  1.0
  O  O12  1  0.438  0.174  0.050  1.0
  O  O13  1  0.562  0.174  0.950  1.0
  O  O14  1  0.062  0.826  0.550  1.0
  O  O15  1  0.938  0.826  0.450  1.0
  O  O16  1  0.263  0.587  0.395  1.0
  O  O17  1  0.737  0.587  0.605  1.0
  O  O18  1  0.237  0.413  0.895  1.0
  O  O19  1  0.763  0.413  0.105  1.0
[/CIF]
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The material structure described by KPr(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. K(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 2-coordinate geometry to one K(1) and one O(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one K(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 distorted water-like 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 K(1) and one Pr(1) atom. is represented by the CIF card [CIF]
data_KPr(ClO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.094
_cell_length_b   7.901
_cell_length_c   8.618
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   483.061
_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  0.099  0.000  1.0
  K  K1  1  0.500  0.901  0.500  1.0
  Pr  Pr2  1  0.000  0.429  0.500  1.0
  Pr  Pr3  1  0.500  0.571  0.000  1.0
  Cl  Cl4  1  0.176  0.616  0.216  1.0
  Cl  Cl5  1  0.824  0.616  0.784  1.0
  Cl  Cl6  1  0.324  0.384  0.716  1.0
  Cl  Cl7  1  0.676  0.384  0.284  1.0
  Cl  Cl8  1  0.148  0.170  0.332  1.0
  Cl  Cl9  1  0.852  0.170  0.668  1.0
  Cl  Cl10  1  0.352  0.830  0.832  1.0
  Cl  Cl11  1  0.648  0.830  0.168  1.0
  O  O12  1  0.438  0.174  0.050  1.0
  O  O13  1  0.562  0.174  0.950  1.0
  O  O14  1  0.062  0.826  0.550  1.0
  O  O15  1  0.938  0.826  0.450  1.0
  O  O16  1  0.263  0.587  0.395  1.0
  O  O17  1  0.737  0.587  0.605  1.0
  O  O18  1  0.237  0.413  0.895  1.0
  O  O19  1  0.763  0.413  0.105  1.0
[/CIF]
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