The material described by Pr3TiO4Cl5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 2-coordinate geometry to two equivalent O(2), one Cl(2), one Cl(4), one Cl(5), two equivalent Cl(1), and two equivalent Cl(3) atoms. In the second Pr site, Pr(2) is bonded in a 2-coordinate geometry to two equivalent O(3), one Cl(3), one Cl(4), two equivalent Cl(1), and three equivalent Cl(5) atoms. In the third Pr site, Pr(3) is bonded in a distorted bent 120 degrees geometry to two equivalent O(4), one Cl(1), one Cl(3), two equivalent Cl(4), and three equivalent Cl(2) atoms. Ti(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing TiO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Pr(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Pr(2) and one Ti(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Pr(3) and one Ti(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(5) is bonded to one Pr(1) and three equivalent Pr(2) atoms to form ClPr4 tetrahedra that share  a cornercorner with one Cl(2)Pr4 tetrahedra,  a cornercorner with one Cl(3)Pr4 tetrahedra, corners with two equivalent Cl(5)Pr4 tetrahedra, corners with four equivalent Cl(4)Pr4 tetrahedra, corners with two equivalent Cl(1)Pr5 trigonal bipyramids, edges with two equivalent Cl(3)Pr4 tetrahedra, edges with two equivalent Cl(5)Pr4 tetrahedra, and edges with three equivalent Cl(1)Pr5 trigonal bipyramids. In the second Cl site, Cl(1) is bonded to one Pr(3), two equivalent Pr(1), and two equivalent Pr(2) atoms to form distorted ClPr5 trigonal bipyramids that share  a cornercorner with one Cl(2)Pr4 tetrahedra, corners with two equivalent Cl(4)Pr4 tetrahedra, corners with two equivalent Cl(5)Pr4 tetrahedra, corners with five equivalent Cl(3)Pr4 tetrahedra,  an edgeedge with one Cl(3)Pr4 tetrahedra, edges with two equivalent Cl(2)Pr4 tetrahedra, edges with two equivalent Cl(4)Pr4 tetrahedra, edges with three equivalent Cl(5)Pr4 tetrahedra, and edges with two equivalent Cl(1)Pr5 trigonal bipyramids. In the third Cl site, Cl(2) is bonded to one Pr(1) and three equivalent Pr(3) atoms to form ClPr4 tetrahedra that share  a cornercorner with one Cl(5)Pr4 tetrahedra, corners with two equivalent Cl(2)Pr4 tetrahedra, corners with five equivalent Cl(3)Pr4 tetrahedra, corners with five equivalent Cl(4)Pr4 tetrahedra,  a cornercorner with one Cl(1)Pr5 trigonal bipyramid,  an edgeedge with one Cl(4)Pr4 tetrahedra, edges with two equivalent Cl(2)Pr4 tetrahedra, and edges with two equivalent Cl(1)Pr5 trigonal bipyramids. In the fourth Cl site, Cl(3) is bonded to one Pr(2), one Pr(3), and two equivalent Pr(1) atoms to form ClPr4 tetrahedra that share  a cornercorner with one Cl(4)Pr4 tetrahedra,  a cornercorner with one Cl(5)Pr4 tetrahedra, corners with two equivalent Cl(3)Pr4 tetrahedra, corners with five equivalent Cl(2)Pr4 tetrahedra, corners with five equivalent Cl(1)Pr5 trigonal bipyramids, edges with two equivalent Cl(4)Pr4 tetrahedra, edges with two equivalent Cl(5)Pr4 tetrahedra, and  an edgeedge with one Cl(1)Pr5 trigonal bipyramid. In the fifth Cl site, Cl(4) is bonded to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms to form ClPr4 tetrahedra that share  a cornercorner with one Cl(3)Pr4 tetrahedra, corners with two equivalent Cl(4)Pr4 tetrahedra, corners with four equivalent Cl(5)Pr4 tetrahedra, corners with five equivalent Cl(2)Pr4 tetrahedra, corners with two equivalent Cl(1)Pr5 trigonal bipyramids,  an edgeedge with one Cl(2)Pr4 tetrahedra, edges with two equivalent Cl(3)Pr4 tetrahedra, and edges with two equivalent Cl(1)Pr5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Pr3TiCl5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.074
_cell_length_b   14.692
_cell_length_c   16.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1006.744
_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  0.250  0.261  0.130  1.0
  Pr  Pr1  1  0.750  0.739  0.870  1.0
  Pr  Pr2  1  0.750  0.761  0.370  1.0
  Pr  Pr3  1  0.250  0.239  0.630  1.0
  Pr  Pr4  1  0.250  0.084  0.379  1.0
  Pr  Pr5  1  0.750  0.916  0.621  1.0
  Pr  Pr6  1  0.750  0.584  0.121  1.0
  Pr  Pr7  1  0.250  0.416  0.879  1.0
  Pr  Pr8  1  0.250  0.581  0.621  1.0
  Pr  Pr9  1  0.750  0.419  0.379  1.0
  Pr  Pr10  1  0.750  0.081  0.879  1.0
  Pr  Pr11  1  0.250  0.919  0.121  1.0
  Ti  Ti12  1  0.250  0.589  0.291  1.0
  Ti  Ti13  1  0.750  0.411  0.709  1.0
  Ti  Ti14  1  0.750  0.089  0.209  1.0
  Ti  Ti15  1  0.250  0.911  0.791  1.0
  Cl  Cl16  1  0.250  0.716  0.021  1.0
  Cl  Cl17  1  0.750  0.284  0.979  1.0
  Cl  Cl18  1  0.750  0.216  0.479  1.0
  Cl  Cl19  1  0.250  0.784  0.521  1.0
  Cl  Cl20  1  0.250  0.097  0.016  1.0
  Cl  Cl21  1  0.750  0.903  0.984  1.0
  Cl  Cl22  1  0.750  0.597  0.484  1.0
  Cl  Cl23  1  0.250  0.403  0.516  1.0
  Cl  Cl24  1  0.250  0.899  0.298  1.0
  Cl  Cl25  1  0.750  0.101  0.702  1.0
  Cl  Cl26  1  0.750  0.399  0.202  1.0
  Cl  Cl27  1  0.250  0.601  0.798  1.0
  Cl  Cl28  1  0.250  0.275  0.320  1.0
  Cl  Cl29  1  0.750  0.725  0.680  1.0
  Cl  Cl30  1  0.750  0.775  0.180  1.0
  Cl  Cl31  1  0.250  0.225  0.820  1.0
  Cl  Cl32  1  0.250  0.443  0.054  1.0
  Cl  Cl33  1  0.750  0.557  0.946  1.0
  Cl  Cl34  1  0.750  0.943  0.446  1.0
  Cl  Cl35  1  0.250  0.057  0.554  1.0
  O  O36  1  0.250  0.091  0.208  1.0
  O  O37  1  0.750  0.909  0.792  1.0
  O  O38  1  0.750  0.591  0.292  1.0
  O  O39  1  0.250  0.409  0.708  1.0
  O  O40  1  0.250  0.699  0.346  1.0
  O  O41  1  0.750  0.301  0.654  1.0
  O  O42  1  0.750  0.199  0.154  1.0
  O  O43  1  0.250  0.801  0.846  1.0
  O  O44  1  0.250  0.590  0.182  1.0
  O  O45  1  0.750  0.410  0.818  1.0
  O  O46  1  0.750  0.090  0.318  1.0
  O  O47  1  0.250  0.910  0.682  1.0
  O  O48  1  0.250  0.482  0.348  1.0
  O  O49  1  0.750  0.518  0.652  1.0
  O  O50  1  0.750  0.982  0.152  1.0
  O  O51  1  0.250  0.018  0.848  1.0
[/CIF]
.
The material described by Pr3TiO4Cl5 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 2-coordinate geometry to two equivalent O(2), one Cl(2), one Cl(4), one Cl(5), two equivalent Cl(1), and two equivalent Cl(3) atoms. In the second Pr site, Pr(2) is bonded in a 2-coordinate geometry to two equivalent O(3), one Cl(3), one Cl(4), two equivalent Cl(1), and three equivalent Cl(5) atoms. In the third Pr site, Pr(3) is bonded in a distorted bent 120 degrees geometry to two equivalent O(4), one Cl(1), one Cl(3), two equivalent Cl(4), and three equivalent Cl(2) atoms. Ti(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing TiO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Pr(1) and one Ti(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Pr(2) and one Ti(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Pr(3) and one Ti(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(5) is bonded to one Pr(1) and three equivalent Pr(2) atoms to form ClPr4 tetrahedra that share  a cornercorner with one Cl(2)Pr4 tetrahedra,  a cornercorner with one Cl(3)Pr4 tetrahedra, corners with two equivalent Cl(5)Pr4 tetrahedra, corners with four equivalent Cl(4)Pr4 tetrahedra, corners with two equivalent Cl(1)Pr5 trigonal bipyramids, edges with two equivalent Cl(3)Pr4 tetrahedra, edges with two equivalent Cl(5)Pr4 tetrahedra, and edges with three equivalent Cl(1)Pr5 trigonal bipyramids. In the second Cl site, Cl(1) is bonded to one Pr(3), two equivalent Pr(1), and two equivalent Pr(2) atoms to form distorted ClPr5 trigonal bipyramids that share  a cornercorner with one Cl(2)Pr4 tetrahedra, corners with two equivalent Cl(4)Pr4 tetrahedra, corners with two equivalent Cl(5)Pr4 tetrahedra, corners with five equivalent Cl(3)Pr4 tetrahedra,  an edgeedge with one Cl(3)Pr4 tetrahedra, edges with two equivalent Cl(2)Pr4 tetrahedra, edges with two equivalent Cl(4)Pr4 tetrahedra, edges with three equivalent Cl(5)Pr4 tetrahedra, and edges with two equivalent Cl(1)Pr5 trigonal bipyramids. In the third Cl site, Cl(2) is bonded to one Pr(1) and three equivalent Pr(3) atoms to form ClPr4 tetrahedra that share  a cornercorner with one Cl(5)Pr4 tetrahedra, corners with two equivalent Cl(2)Pr4 tetrahedra, corners with five equivalent Cl(3)Pr4 tetrahedra, corners with five equivalent Cl(4)Pr4 tetrahedra,  a cornercorner with one Cl(1)Pr5 trigonal bipyramid,  an edgeedge with one Cl(4)Pr4 tetrahedra, edges with two equivalent Cl(2)Pr4 tetrahedra, and edges with two equivalent Cl(1)Pr5 trigonal bipyramids. In the fourth Cl site, Cl(3) is bonded to one Pr(2), one Pr(3), and two equivalent Pr(1) atoms to form ClPr4 tetrahedra that share  a cornercorner with one Cl(4)Pr4 tetrahedra,  a cornercorner with one Cl(5)Pr4 tetrahedra, corners with two equivalent Cl(3)Pr4 tetrahedra, corners with five equivalent Cl(2)Pr4 tetrahedra, corners with five equivalent Cl(1)Pr5 trigonal bipyramids, edges with two equivalent Cl(4)Pr4 tetrahedra, edges with two equivalent Cl(5)Pr4 tetrahedra, and  an edgeedge with one Cl(1)Pr5 trigonal bipyramid. In the fifth Cl site, Cl(4) is bonded to one Pr(1), one Pr(2), and two equivalent Pr(3) atoms to form ClPr4 tetrahedra that share  a cornercorner with one Cl(3)Pr4 tetrahedra, corners with two equivalent Cl(4)Pr4 tetrahedra, corners with four equivalent Cl(5)Pr4 tetrahedra, corners with five equivalent Cl(2)Pr4 tetrahedra, corners with two equivalent Cl(1)Pr5 trigonal bipyramids,  an edgeedge with one Cl(2)Pr4 tetrahedra, edges with two equivalent Cl(3)Pr4 tetrahedra, and edges with two equivalent Cl(1)Pr5 trigonal bipyramids. is represented by the CIF file [CIF]
data_Pr3TiCl5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.074
_cell_length_b   14.692
_cell_length_c   16.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1006.744
_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  0.250  0.261  0.130  1.0
  Pr  Pr1  1  0.750  0.739  0.870  1.0
  Pr  Pr2  1  0.750  0.761  0.370  1.0
  Pr  Pr3  1  0.250  0.239  0.630  1.0
  Pr  Pr4  1  0.250  0.084  0.379  1.0
  Pr  Pr5  1  0.750  0.916  0.621  1.0
  Pr  Pr6  1  0.750  0.584  0.121  1.0
  Pr  Pr7  1  0.250  0.416  0.879  1.0
  Pr  Pr8  1  0.250  0.581  0.621  1.0
  Pr  Pr9  1  0.750  0.419  0.379  1.0
  Pr  Pr10  1  0.750  0.081  0.879  1.0
  Pr  Pr11  1  0.250  0.919  0.121  1.0
  Ti  Ti12  1  0.250  0.589  0.291  1.0
  Ti  Ti13  1  0.750  0.411  0.709  1.0
  Ti  Ti14  1  0.750  0.089  0.209  1.0
  Ti  Ti15  1  0.250  0.911  0.791  1.0
  Cl  Cl16  1  0.250  0.716  0.021  1.0
  Cl  Cl17  1  0.750  0.284  0.979  1.0
  Cl  Cl18  1  0.750  0.216  0.479  1.0
  Cl  Cl19  1  0.250  0.784  0.521  1.0
  Cl  Cl20  1  0.250  0.097  0.016  1.0
  Cl  Cl21  1  0.750  0.903  0.984  1.0
  Cl  Cl22  1  0.750  0.597  0.484  1.0
  Cl  Cl23  1  0.250  0.403  0.516  1.0
  Cl  Cl24  1  0.250  0.899  0.298  1.0
  Cl  Cl25  1  0.750  0.101  0.702  1.0
  Cl  Cl26  1  0.750  0.399  0.202  1.0
  Cl  Cl27  1  0.250  0.601  0.798  1.0
  Cl  Cl28  1  0.250  0.275  0.320  1.0
  Cl  Cl29  1  0.750  0.725  0.680  1.0
  Cl  Cl30  1  0.750  0.775  0.180  1.0
  Cl  Cl31  1  0.250  0.225  0.820  1.0
  Cl  Cl32  1  0.250  0.443  0.054  1.0
  Cl  Cl33  1  0.750  0.557  0.946  1.0
  Cl  Cl34  1  0.750  0.943  0.446  1.0
  Cl  Cl35  1  0.250  0.057  0.554  1.0
  O  O36  1  0.250  0.091  0.208  1.0
  O  O37  1  0.750  0.909  0.792  1.0
  O  O38  1  0.750  0.591  0.292  1.0
  O  O39  1  0.250  0.409  0.708  1.0
  O  O40  1  0.250  0.699  0.346  1.0
  O  O41  1  0.750  0.301  0.654  1.0
  O  O42  1  0.750  0.199  0.154  1.0
  O  O43  1  0.250  0.801  0.846  1.0
  O  O44  1  0.250  0.590  0.182  1.0
  O  O45  1  0.750  0.410  0.818  1.0
  O  O46  1  0.750  0.090  0.318  1.0
  O  O47  1  0.250  0.910  0.682  1.0
  O  O48  1  0.250  0.482  0.348  1.0
  O  O49  1  0.750  0.518  0.652  1.0
  O  O50  1  0.750  0.982  0.152  1.0
  O  O51  1  0.250  0.018  0.848  1.0
[/CIF]
.