The material described by Pr3CCl5 is Baddeleyite-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one C(1), one Cl(3), one Cl(5), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one C(1), one Cl(3), one Cl(4), two equivalent Cl(1), and two equivalent Cl(5) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to two equivalent C(1), one Cl(1), one Cl(2), one Cl(5), and two equivalent Cl(3) atoms. C(1) is bonded to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms to form CPr4 tetrahedra that share corners with three equivalent Cl(5)Pr4 tetrahedra, corners with four equivalent Cl(3)Pr4 trigonal pyramids,  an edgeedge with one C(1)Pr4 tetrahedra,  an edgeedge with one Cl(5)Pr4 tetrahedra, and  an edgeedge with one Cl(3)Pr4 trigonal pyramid. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Pr(3) and two equivalent Pr(2) atoms. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to one Pr(3) and two equivalent Pr(1) atoms. In the third Cl site, Cl(3) is bonded to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms to form distorted ClPr4 trigonal pyramids that share corners with three equivalent Cl(5)Pr4 tetrahedra, corners with four equivalent C(1)Pr4 tetrahedra,  an edgeedge with one C(1)Pr4 tetrahedra,  an edgeedge with one Cl(5)Pr4 tetrahedra, and  an edgeedge with one Cl(3)Pr4 trigonal pyramid. In the fourth Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to one Pr(2) and two equivalent Pr(1) atoms. In the fifth Cl site, Cl(5) is bonded to one Pr(1), one Pr(3), and two equivalent Pr(2) atoms to form ClPr4 tetrahedra that share corners with three equivalent C(1)Pr4 tetrahedra, corners with three equivalent Cl(3)Pr4 trigonal pyramids,  an edgeedge with one C(1)Pr4 tetrahedra,  an edgeedge with one Cl(5)Pr4 tetrahedra, and  an edgeedge with one Cl(3)Pr4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3CCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.249
_cell_length_b   8.249
_cell_length_c   15.886
_cell_angle_alpha   83.844
_cell_angle_beta   83.844
_cell_angle_gamma   63.813
_symmetry_Int_Tables_number   1
_cell_volume   962.301
_cell_formula_units_Z   4
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  0.909  0.657  0.703  1.0
  Pr  Pr1  1  0.715  0.539  0.063  1.0
  Pr  Pr2  1  0.091  0.343  0.297  1.0
  Pr  Pr3  1  0.461  0.285  0.437  1.0
  Pr  Pr4  1  0.003  0.713  0.454  1.0
  Pr  Pr5  1  0.343  0.091  0.797  1.0
  Pr  Pr6  1  0.287  0.997  0.046  1.0
  Pr  Pr7  1  0.285  0.461  0.937  1.0
  Pr  Pr8  1  0.997  0.287  0.546  1.0
  Pr  Pr9  1  0.539  0.715  0.563  1.0
  Pr  Pr10  1  0.657  0.909  0.203  1.0
  Pr  Pr11  1  0.713  0.003  0.954  1.0
  C  C12  1  0.152  0.389  0.429  1.0
  C  C13  1  0.611  0.848  0.071  1.0
  C  C14  1  0.389  0.152  0.929  1.0
  C  C15  1  0.848  0.611  0.571  1.0
  Cl  Cl16  1  0.384  0.655  0.419  1.0
  Cl  Cl17  1  0.616  0.345  0.581  1.0
  Cl  Cl18  1  0.014  0.720  0.264  1.0
  Cl  Cl19  1  0.098  0.851  0.599  1.0
  Cl  Cl20  1  0.902  0.149  0.401  1.0
  Cl  Cl21  1  0.986  0.280  0.736  1.0
  Cl  Cl22  1  0.535  0.719  0.744  1.0
  Cl  Cl23  1  0.099  0.378  0.094  1.0
  Cl  Cl24  1  0.345  0.616  0.081  1.0
  Cl  Cl25  1  0.465  0.281  0.256  1.0
  Cl  Cl26  1  0.719  0.535  0.244  1.0
  Cl  Cl27  1  0.720  0.014  0.764  1.0
  Cl  Cl28  1  0.851  0.098  0.099  1.0
  Cl  Cl29  1  0.149  0.902  0.901  1.0
  Cl  Cl30  1  0.622  0.901  0.406  1.0
  Cl  Cl31  1  0.378  0.099  0.594  1.0
  Cl  Cl32  1  0.281  0.465  0.756  1.0
  Cl  Cl33  1  0.280  0.986  0.236  1.0
  Cl  Cl34  1  0.901  0.622  0.906  1.0
  Cl  Cl35  1  0.655  0.384  0.919  1.0
[/CIF]
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The material described by Pr3CCl5 is Baddeleyite-derived structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one C(1), one Cl(3), one Cl(5), two equivalent Cl(2), and two equivalent Cl(4) atoms. In the second Pr site, Pr(2) is bonded in a 7-coordinate geometry to one C(1), one Cl(3), one Cl(4), two equivalent Cl(1), and two equivalent Cl(5) atoms. In the third Pr site, Pr(3) is bonded in a 7-coordinate geometry to two equivalent C(1), one Cl(1), one Cl(2), one Cl(5), and two equivalent Cl(3) atoms. C(1) is bonded to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms to form CPr4 tetrahedra that share corners with three equivalent Cl(5)Pr4 tetrahedra, corners with four equivalent Cl(3)Pr4 trigonal pyramids,  an edgeedge with one C(1)Pr4 tetrahedra,  an edgeedge with one Cl(5)Pr4 tetrahedra, and  an edgeedge with one Cl(3)Pr4 trigonal pyramid. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Pr(3) and two equivalent Pr(2) atoms. In the second Cl site, Cl(2) is bonded in a trigonal non-coplanar geometry to one Pr(3) and two equivalent Pr(1) atoms. In the third Cl site, Cl(3) is bonded to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms to form distorted ClPr4 trigonal pyramids that share corners with three equivalent Cl(5)Pr4 tetrahedra, corners with four equivalent C(1)Pr4 tetrahedra,  an edgeedge with one C(1)Pr4 tetrahedra,  an edgeedge with one Cl(5)Pr4 tetrahedra, and  an edgeedge with one Cl(3)Pr4 trigonal pyramid. In the fourth Cl site, Cl(4) is bonded in a trigonal non-coplanar geometry to one Pr(2) and two equivalent Pr(1) atoms. In the fifth Cl site, Cl(5) is bonded to one Pr(1), one Pr(3), and two equivalent Pr(2) atoms to form ClPr4 tetrahedra that share corners with three equivalent C(1)Pr4 tetrahedra, corners with three equivalent Cl(3)Pr4 trigonal pyramids,  an edgeedge with one C(1)Pr4 tetrahedra,  an edgeedge with one Cl(5)Pr4 tetrahedra, and  an edgeedge with one Cl(3)Pr4 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Pr3CCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.249
_cell_length_b   8.249
_cell_length_c   15.886
_cell_angle_alpha   83.844
_cell_angle_beta   83.844
_cell_angle_gamma   63.813
_symmetry_Int_Tables_number   1
_cell_volume   962.301
_cell_formula_units_Z   4
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  0.909  0.657  0.703  1.0
  Pr  Pr1  1  0.715  0.539  0.063  1.0
  Pr  Pr2  1  0.091  0.343  0.297  1.0
  Pr  Pr3  1  0.461  0.285  0.437  1.0
  Pr  Pr4  1  0.003  0.713  0.454  1.0
  Pr  Pr5  1  0.343  0.091  0.797  1.0
  Pr  Pr6  1  0.287  0.997  0.046  1.0
  Pr  Pr7  1  0.285  0.461  0.937  1.0
  Pr  Pr8  1  0.997  0.287  0.546  1.0
  Pr  Pr9  1  0.539  0.715  0.563  1.0
  Pr  Pr10  1  0.657  0.909  0.203  1.0
  Pr  Pr11  1  0.713  0.003  0.954  1.0
  C  C12  1  0.152  0.389  0.429  1.0
  C  C13  1  0.611  0.848  0.071  1.0
  C  C14  1  0.389  0.152  0.929  1.0
  C  C15  1  0.848  0.611  0.571  1.0
  Cl  Cl16  1  0.384  0.655  0.419  1.0
  Cl  Cl17  1  0.616  0.345  0.581  1.0
  Cl  Cl18  1  0.014  0.720  0.264  1.0
  Cl  Cl19  1  0.098  0.851  0.599  1.0
  Cl  Cl20  1  0.902  0.149  0.401  1.0
  Cl  Cl21  1  0.986  0.280  0.736  1.0
  Cl  Cl22  1  0.535  0.719  0.744  1.0
  Cl  Cl23  1  0.099  0.378  0.094  1.0
  Cl  Cl24  1  0.345  0.616  0.081  1.0
  Cl  Cl25  1  0.465  0.281  0.256  1.0
  Cl  Cl26  1  0.719  0.535  0.244  1.0
  Cl  Cl27  1  0.720  0.014  0.764  1.0
  Cl  Cl28  1  0.851  0.098  0.099  1.0
  Cl  Cl29  1  0.149  0.902  0.901  1.0
  Cl  Cl30  1  0.622  0.901  0.406  1.0
  Cl  Cl31  1  0.378  0.099  0.594  1.0
  Cl  Cl32  1  0.281  0.465  0.756  1.0
  Cl  Cl33  1  0.280  0.986  0.236  1.0
  Cl  Cl34  1  0.901  0.622  0.906  1.0
  Cl  Cl35  1  0.655  0.384  0.919  1.0
[/CIF]
.