The compound described by RbPr6(CI6)2 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a distorted square co-planar geometry to two equivalent I(2) and two equivalent I(3) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent C(1), one I(1), one I(3), one I(4), and two equivalent I(6) atoms to form distorted PrC2I5 pentagonal bipyramids that share  a cornercorner with one Pr(2)CI5 octahedra,  a cornercorner with one Pr(3)C2I5 pentagonal bipyramid, edges with two equivalent Pr(2)CI5 octahedra, edges with two equivalent Pr(1)C2I5 pentagonal bipyramids, and faces with two equivalent Pr(3)C2I5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 2°. In the second Pr site, Pr(2) is bonded to one C(1), one I(3), one I(5), one I(6), and two equivalent I(2) atoms to form distorted PrCI5 octahedra that share  a cornercorner with one Pr(1)C2I5 pentagonal bipyramid,  a cornercorner with one Pr(3)C2I5 pentagonal bipyramid,  an edgeedge with one Pr(2)CI5 octahedra, edges with two equivalent Pr(1)C2I5 pentagonal bipyramids, and edges with two equivalent Pr(3)C2I5 pentagonal bipyramids. In the third Pr site, Pr(3) is bonded to two equivalent C(1), one I(2), one I(4), one I(5), and two equivalent I(1) atoms to form distorted PrC2I5 pentagonal bipyramids that share  a cornercorner with one Pr(2)CI5 octahedra,  a cornercorner with one Pr(1)C2I5 pentagonal bipyramid, edges with two equivalent Pr(2)CI5 octahedra, edges with two equivalent Pr(3)C2I5 pentagonal bipyramids, and faces with two equivalent Pr(1)C2I5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 12°. C(1) is bonded in a 6-coordinate geometry to one Pr(2), two equivalent Pr(1), two equivalent Pr(3), and one C(1) atom. There are six inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Pr(3) atoms. In the second I site, I(2) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Pr(3), and two equivalent Pr(2) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Rb(1), one Pr(1), and one Pr(2) atom. In the fourth I site, I(4) is bonded in a 2-coordinate geometry to one Pr(1) and one Pr(3) atom. In the fifth I site, I(5) is bonded in a distorted L-shaped geometry to one Pr(2) and one Pr(3) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_RbPr6(CI6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.773
_cell_length_b   9.801
_cell_length_c   10.264
_cell_angle_alpha   70.829
_cell_angle_beta   71.914
_cell_angle_gamma   72.581
_symmetry_Int_Tables_number   1
_cell_volume   861.091
_cell_formula_units_Z   1
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  0.500  0.000  0.000  1.0
  Pr  Pr1  1  0.969  0.228  0.590  1.0
  Pr  Pr2  1  0.031  0.772  0.410  1.0
  Pr  Pr3  1  0.108  0.476  0.193  1.0
  Pr  Pr4  1  0.730  0.590  0.476  1.0
  Pr  Pr5  1  0.270  0.410  0.524  1.0
  Pr  Pr6  1  0.892  0.524  0.807  1.0
  C  C7  1  0.024  0.494  0.429  1.0
  C  C8  1  0.976  0.506  0.571  1.0
  I  I9  1  0.366  0.719  0.430  1.0
  I  I10  1  0.634  0.281  0.570  1.0
  I  I11  1  0.223  0.412  0.857  1.0
  I  I12  1  0.777  0.588  0.143  1.0
  I  I13  1  0.160  0.802  0.078  1.0
  I  I14  1  0.717  0.929  0.354  1.0
  I  I15  1  0.436  0.351  0.220  1.0
  I  I16  1  0.930  0.863  0.709  1.0
  I  I17  1  0.840  0.198  0.922  1.0
  I  I18  1  0.070  0.137  0.291  1.0
  I  I19  1  0.564  0.649  0.780  1.0
  I  I20  1  0.283  0.071  0.646  1.0
[/CIF]
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The compound described by RbPr6(CI6)2 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a distorted square co-planar geometry to two equivalent I(2) and two equivalent I(3) atoms. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent C(1), one I(1), one I(3), one I(4), and two equivalent I(6) atoms to form distorted PrC2I5 pentagonal bipyramids that share  a cornercorner with one Pr(2)CI5 octahedra,  a cornercorner with one Pr(3)C2I5 pentagonal bipyramid, edges with two equivalent Pr(2)CI5 octahedra, edges with two equivalent Pr(1)C2I5 pentagonal bipyramids, and faces with two equivalent Pr(3)C2I5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 2°. In the second Pr site, Pr(2) is bonded to one C(1), one I(3), one I(5), one I(6), and two equivalent I(2) atoms to form distorted PrCI5 octahedra that share  a cornercorner with one Pr(1)C2I5 pentagonal bipyramid,  a cornercorner with one Pr(3)C2I5 pentagonal bipyramid,  an edgeedge with one Pr(2)CI5 octahedra, edges with two equivalent Pr(1)C2I5 pentagonal bipyramids, and edges with two equivalent Pr(3)C2I5 pentagonal bipyramids. In the third Pr site, Pr(3) is bonded to two equivalent C(1), one I(2), one I(4), one I(5), and two equivalent I(1) atoms to form distorted PrC2I5 pentagonal bipyramids that share  a cornercorner with one Pr(2)CI5 octahedra,  a cornercorner with one Pr(1)C2I5 pentagonal bipyramid, edges with two equivalent Pr(2)CI5 octahedra, edges with two equivalent Pr(3)C2I5 pentagonal bipyramids, and faces with two equivalent Pr(1)C2I5 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 12°. C(1) is bonded in a 6-coordinate geometry to one Pr(2), two equivalent Pr(1), two equivalent Pr(3), and one C(1) atom. There are six inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Pr(1) and two equivalent Pr(3) atoms. In the second I site, I(2) is bonded in a distorted rectangular see-saw-like geometry to one Rb(1), one Pr(3), and two equivalent Pr(2) atoms. In the third I site, I(3) is bonded in a 3-coordinate geometry to one Rb(1), one Pr(1), and one Pr(2) atom. In the fourth I site, I(4) is bonded in a 2-coordinate geometry to one Pr(1) and one Pr(3) atom. In the fifth I site, I(5) is bonded in a distorted L-shaped geometry to one Pr(2) and one Pr(3) atom. In the sixth I site, I(6) is bonded in a distorted T-shaped geometry to one Pr(2) and two equivalent Pr(1) atoms. is represented by the CIF card [CIF]
data_RbPr6(CI6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.773
_cell_length_b   9.801
_cell_length_c   10.264
_cell_angle_alpha   70.829
_cell_angle_beta   71.914
_cell_angle_gamma   72.581
_symmetry_Int_Tables_number   1
_cell_volume   861.091
_cell_formula_units_Z   1
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  0.500  0.000  0.000  1.0
  Pr  Pr1  1  0.969  0.228  0.590  1.0
  Pr  Pr2  1  0.031  0.772  0.410  1.0
  Pr  Pr3  1  0.108  0.476  0.193  1.0
  Pr  Pr4  1  0.730  0.590  0.476  1.0
  Pr  Pr5  1  0.270  0.410  0.524  1.0
  Pr  Pr6  1  0.892  0.524  0.807  1.0
  C  C7  1  0.024  0.494  0.429  1.0
  C  C8  1  0.976  0.506  0.571  1.0
  I  I9  1  0.366  0.719  0.430  1.0
  I  I10  1  0.634  0.281  0.570  1.0
  I  I11  1  0.223  0.412  0.857  1.0
  I  I12  1  0.777  0.588  0.143  1.0
  I  I13  1  0.160  0.802  0.078  1.0
  I  I14  1  0.717  0.929  0.354  1.0
  I  I15  1  0.436  0.351  0.220  1.0
  I  I16  1  0.930  0.863  0.709  1.0
  I  I17  1  0.840  0.198  0.922  1.0
  I  I18  1  0.070  0.137  0.291  1.0
  I  I19  1  0.564  0.649  0.780  1.0
  I  I20  1  0.283  0.071  0.646  1.0
[/CIF]
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