The crystal structure described by Pr12(MnC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to one C(1), one C(2), two equivalent C(3), and two equivalent C(4) atoms. In the third Pr site, Pr(3) is bonded to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing PrC8 hexagonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one C(1) and two equivalent C(2) atoms. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Pr(2), two equivalent Pr(3), one Mn(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Mn(1) atoms to form CPr4Mn2 octahedra that share corners with four equivalent C(2)Pr4Mn2 octahedra and edges with four equivalent C(4)Pr5Mn octahedra. The corner-sharing octahedral tilt angles range from 4-35°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent Pr(3), four equivalent Pr(2), and one C(1) atom. In the fourth C site, C(4) is bonded to one Pr(1), two equivalent Pr(2), two equivalent Pr(3), and one Mn(2) atom to form distorted CPr5Mn octahedra that share corners with five equivalent C(4)Pr5Mn octahedra, edges with two equivalent C(2)Pr4Mn2 octahedra, and edges with three equivalent C(4)Pr5Mn octahedra. The corner-sharing octahedral tilt angles range from 11-36°. is represented by the CIF card [CIF]
data_Pr12(MnC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.842
_cell_length_b   10.842
_cell_length_c   5.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   548.431
_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
  Pr  Pr0  1  0.793  0.000  0.500  1.0
  Pr  Pr1  1  0.000  0.793  0.500  1.0
  Pr  Pr2  1  0.207  0.207  0.500  1.0
  Pr  Pr3  1  0.271  0.458  1.000  1.0
  Pr  Pr4  1  0.542  0.813  0.000  1.0
  Pr  Pr5  1  0.458  0.271  1.000  1.0
  Pr  Pr6  1  0.187  0.728  1.000  1.0
  Pr  Pr7  1  0.813  0.542  1.000  1.0
  Pr  Pr8  1  0.728  0.187  1.000  1.0
  Pr  Pr9  1  0.423  0.000  0.500  1.0
  Pr  Pr10  1  0.000  0.423  0.500  1.0
  Pr  Pr11  1  0.577  0.577  0.500  1.0
  Mn  Mn12  1  0.153  0.000  0.000  1.0
  Mn  Mn13  1  0.000  0.153  0.000  1.0
  Mn  Mn14  1  0.847  0.847  1.000  1.0
  Mn  Mn15  1  0.333  0.667  0.500  1.0
  Mn  Mn16  1  0.667  0.333  0.500  1.0
  C  C17  1  0.322  0.000  0.000  1.0
  C  C18  1  0.000  0.322  0.000  1.0
  C  C19  1  0.678  0.678  0.000  1.0
  C  C20  1  0.802  0.000  1.000  1.0
  C  C21  1  0.000  0.802  1.000  1.0
  C  C22  1  0.198  0.198  1.000  1.0
  C  C23  1  0.445  0.000  0.000  1.0
  C  C24  1  0.000  0.445  1.000  1.0
  C  C25  1  0.555  0.555  0.000  1.0
  C  C26  1  0.287  0.485  0.500  1.0
  C  C27  1  0.515  0.802  0.500  1.0
  C  C28  1  0.485  0.287  0.500  1.0
  C  C29  1  0.198  0.713  0.500  1.0
  C  C30  1  0.802  0.515  0.500  1.0
  C  C31  1  0.713  0.198  0.500  1.0
[/CIF]
.
The crystal structure described by Pr12(MnC3)5 crystallizes in the hexagonal P-62m space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a rectangular see-saw-like geometry to two equivalent C(2) and two equivalent C(4) atoms. In the second Pr site, Pr(2) is bonded in a 5-coordinate geometry to one C(1), one C(2), two equivalent C(3), and two equivalent C(4) atoms. In the third Pr site, Pr(3) is bonded to two equivalent C(1), two equivalent C(3), and four equivalent C(4) atoms to form a mixture of distorted corner and edge-sharing PrC8 hexagonal bipyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to one C(1) and two equivalent C(2) atoms. In the second Mn site, Mn(2) is bonded in a trigonal planar geometry to three equivalent C(4) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a 6-coordinate geometry to two equivalent Pr(2), two equivalent Pr(3), one Mn(1), and one C(3) atom. In the second C site, C(2) is bonded to two equivalent Pr(1), two equivalent Pr(2), and two equivalent Mn(1) atoms to form CPr4Mn2 octahedra that share corners with four equivalent C(2)Pr4Mn2 octahedra and edges with four equivalent C(4)Pr5Mn octahedra. The corner-sharing octahedral tilt angles range from 4-35°. In the third C site, C(3) is bonded in a 7-coordinate geometry to two equivalent Pr(3), four equivalent Pr(2), and one C(1) atom. In the fourth C site, C(4) is bonded to one Pr(1), two equivalent Pr(2), two equivalent Pr(3), and one Mn(2) atom to form distorted CPr5Mn octahedra that share corners with five equivalent C(4)Pr5Mn octahedra, edges with two equivalent C(2)Pr4Mn2 octahedra, and edges with three equivalent C(4)Pr5Mn octahedra. The corner-sharing octahedral tilt angles range from 11-36°. is represented by the CIF card [CIF]
data_Pr12(MnC3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.842
_cell_length_b   10.842
_cell_length_c   5.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   548.431
_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
  Pr  Pr0  1  0.793  0.000  0.500  1.0
  Pr  Pr1  1  0.000  0.793  0.500  1.0
  Pr  Pr2  1  0.207  0.207  0.500  1.0
  Pr  Pr3  1  0.271  0.458  1.000  1.0
  Pr  Pr4  1  0.542  0.813  0.000  1.0
  Pr  Pr5  1  0.458  0.271  1.000  1.0
  Pr  Pr6  1  0.187  0.728  1.000  1.0
  Pr  Pr7  1  0.813  0.542  1.000  1.0
  Pr  Pr8  1  0.728  0.187  1.000  1.0
  Pr  Pr9  1  0.423  0.000  0.500  1.0
  Pr  Pr10  1  0.000  0.423  0.500  1.0
  Pr  Pr11  1  0.577  0.577  0.500  1.0
  Mn  Mn12  1  0.153  0.000  0.000  1.0
  Mn  Mn13  1  0.000  0.153  0.000  1.0
  Mn  Mn14  1  0.847  0.847  1.000  1.0
  Mn  Mn15  1  0.333  0.667  0.500  1.0
  Mn  Mn16  1  0.667  0.333  0.500  1.0
  C  C17  1  0.322  0.000  0.000  1.0
  C  C18  1  0.000  0.322  0.000  1.0
  C  C19  1  0.678  0.678  0.000  1.0
  C  C20  1  0.802  0.000  1.000  1.0
  C  C21  1  0.000  0.802  1.000  1.0
  C  C22  1  0.198  0.198  1.000  1.0
  C  C23  1  0.445  0.000  0.000  1.0
  C  C24  1  0.000  0.445  1.000  1.0
  C  C25  1  0.555  0.555  0.000  1.0
  C  C26  1  0.287  0.485  0.500  1.0
  C  C27  1  0.515  0.802  0.500  1.0
  C  C28  1  0.485  0.287  0.500  1.0
  C  C29  1  0.198  0.713  0.500  1.0
  C  C30  1  0.802  0.515  0.500  1.0
  C  C31  1  0.713  0.198  0.500  1.0
[/CIF]
.