The crystal structure described by Pr2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), two equivalent O(1), and three equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted PrO7 hexagonal pyramids that share corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Pr(2)O7 hexagonal pyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share corners with three equivalent Pr(2)O7 hexagonal pyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Pr(2)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Pr(2), two equivalent Pr(1), and one Ti(1) atom to form distorted OPr3Ti tetrahedra that share  a cornercorner with one O(3)Pr2Ti2 tetrahedra,  a cornercorner with one O(5)Pr3Ti tetrahedra, corners with two equivalent O(1)Pr3Ti tetrahedra, corners with five equivalent O(2)Pr4 tetrahedra,  an edgeedge with one O(2)Pr4 tetrahedra, edges with two equivalent O(3)Pr2Ti2 tetrahedra, and edges with two equivalent O(5)Pr3Ti tetrahedra. In the second O site, O(2) is bonded to one Pr(2) and three equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with two equivalent O(3)Pr2Ti2 tetrahedra, corners with two equivalent O(2)Pr4 tetrahedra, corners with five equivalent O(1)Pr3Ti tetrahedra, corners with five equivalent O(5)Pr3Ti tetrahedra,  an edgeedge with one O(3)Pr2Ti2 tetrahedra,  an edgeedge with one O(1)Pr3Ti tetrahedra, and edges with two equivalent O(2)Pr4 tetrahedra. In the third O site, O(3) is bonded to one Pr(1), one Pr(2), and two equivalent Ti(1) atoms to form distorted OPr2Ti2 tetrahedra that share  a cornercorner with one O(1)Pr3Ti tetrahedra,  a cornercorner with one O(5)Pr3Ti tetrahedra, corners with two equivalent O(3)Pr2Ti2 tetrahedra, corners with two equivalent O(2)Pr4 tetrahedra,  an edgeedge with one O(2)Pr4 tetrahedra, edges with two equivalent O(1)Pr3Ti tetrahedra, and edges with two equivalent O(5)Pr3Ti tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Pr(2) and one Ti(1) atom. In the fifth O site, O(5) is bonded to one Pr(1), two equivalent Pr(2), and one Ti(1) atom to form OPr3Ti tetrahedra that share  a cornercorner with one O(3)Pr2Ti2 tetrahedra,  a cornercorner with one O(1)Pr3Ti tetrahedra, corners with two equivalent O(5)Pr3Ti tetrahedra, corners with five equivalent O(2)Pr4 tetrahedra, edges with two equivalent O(3)Pr2Ti2 tetrahedra, and edges with two equivalent O(1)Pr3Ti tetrahedra. is represented by the CIF file [CIF]
data_Pr2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.875
_cell_length_b   10.868
_cell_length_c   11.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.335
_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  0.137  0.943  1.0
  Pr  Pr1  1  0.250  0.637  0.557  1.0
  Pr  Pr2  1  0.750  0.863  0.057  1.0
  Pr  Pr3  1  0.750  0.363  0.443  1.0
  Pr  Pr4  1  0.750  0.398  0.782  1.0
  Pr  Pr5  1  0.750  0.898  0.718  1.0
  Pr  Pr6  1  0.250  0.602  0.218  1.0
  Pr  Pr7  1  0.250  0.102  0.282  1.0
  Ti  Ti8  1  0.250  0.187  0.626  1.0
  Ti  Ti9  1  0.250  0.687  0.874  1.0
  Ti  Ti10  1  0.750  0.813  0.374  1.0
  Ti  Ti11  1  0.750  0.313  0.126  1.0
  O  O12  1  0.250  0.223  0.465  1.0
  O  O13  1  0.250  0.723  0.035  1.0
  O  O14  1  0.750  0.777  0.535  1.0
  O  O15  1  0.750  0.277  0.965  1.0
  O  O16  1  0.250  0.491  0.397  1.0
  O  O17  1  0.250  0.991  0.103  1.0
  O  O18  1  0.750  0.509  0.603  1.0
  O  O19  1  0.750  0.009  0.897  1.0
  O  O20  1  0.250  0.263  0.123  1.0
  O  O21  1  0.250  0.763  0.377  1.0
  O  O22  1  0.750  0.737  0.877  1.0
  O  O23  1  0.750  0.237  0.623  1.0
  O  O24  1  0.250  0.027  0.662  1.0
  O  O25  1  0.250  0.527  0.838  1.0
  O  O26  1  0.750  0.973  0.338  1.0
  O  O27  1  0.750  0.473  0.162  1.0
  O  O28  1  0.250  0.271  0.771  1.0
  O  O29  1  0.250  0.771  0.729  1.0
  O  O30  1  0.750  0.729  0.229  1.0
  O  O31  1  0.750  0.229  0.271  1.0
[/CIF]
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The crystal structure described by Pr2TiO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), two equivalent O(1), and three equivalent O(2) atoms. In the second Pr site, Pr(2) is bonded to one O(1), one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted PrO7 hexagonal pyramids that share corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Pr(2)O7 hexagonal pyramids, and edges with two equivalent Ti(1)O5 trigonal bipyramids. Ti(1) is bonded to one O(1), one O(4), one O(5), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share corners with three equivalent Pr(2)O7 hexagonal pyramids, corners with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Pr(2)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Pr(2), two equivalent Pr(1), and one Ti(1) atom to form distorted OPr3Ti tetrahedra that share  a cornercorner with one O(3)Pr2Ti2 tetrahedra,  a cornercorner with one O(5)Pr3Ti tetrahedra, corners with two equivalent O(1)Pr3Ti tetrahedra, corners with five equivalent O(2)Pr4 tetrahedra,  an edgeedge with one O(2)Pr4 tetrahedra, edges with two equivalent O(3)Pr2Ti2 tetrahedra, and edges with two equivalent O(5)Pr3Ti tetrahedra. In the second O site, O(2) is bonded to one Pr(2) and three equivalent Pr(1) atoms to form OPr4 tetrahedra that share corners with two equivalent O(3)Pr2Ti2 tetrahedra, corners with two equivalent O(2)Pr4 tetrahedra, corners with five equivalent O(1)Pr3Ti tetrahedra, corners with five equivalent O(5)Pr3Ti tetrahedra,  an edgeedge with one O(3)Pr2Ti2 tetrahedra,  an edgeedge with one O(1)Pr3Ti tetrahedra, and edges with two equivalent O(2)Pr4 tetrahedra. In the third O site, O(3) is bonded to one Pr(1), one Pr(2), and two equivalent Ti(1) atoms to form distorted OPr2Ti2 tetrahedra that share  a cornercorner with one O(1)Pr3Ti tetrahedra,  a cornercorner with one O(5)Pr3Ti tetrahedra, corners with two equivalent O(3)Pr2Ti2 tetrahedra, corners with two equivalent O(2)Pr4 tetrahedra,  an edgeedge with one O(2)Pr4 tetrahedra, edges with two equivalent O(1)Pr3Ti tetrahedra, and edges with two equivalent O(5)Pr3Ti tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Pr(2) and one Ti(1) atom. In the fifth O site, O(5) is bonded to one Pr(1), two equivalent Pr(2), and one Ti(1) atom to form OPr3Ti tetrahedra that share  a cornercorner with one O(3)Pr2Ti2 tetrahedra,  a cornercorner with one O(1)Pr3Ti tetrahedra, corners with two equivalent O(5)Pr3Ti tetrahedra, corners with five equivalent O(2)Pr4 tetrahedra, edges with two equivalent O(3)Pr2Ti2 tetrahedra, and edges with two equivalent O(1)Pr3Ti tetrahedra. is represented by the CIF file [CIF]
data_Pr2TiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.875
_cell_length_b   10.868
_cell_length_c   11.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   484.335
_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  0.137  0.943  1.0
  Pr  Pr1  1  0.250  0.637  0.557  1.0
  Pr  Pr2  1  0.750  0.863  0.057  1.0
  Pr  Pr3  1  0.750  0.363  0.443  1.0
  Pr  Pr4  1  0.750  0.398  0.782  1.0
  Pr  Pr5  1  0.750  0.898  0.718  1.0
  Pr  Pr6  1  0.250  0.602  0.218  1.0
  Pr  Pr7  1  0.250  0.102  0.282  1.0
  Ti  Ti8  1  0.250  0.187  0.626  1.0
  Ti  Ti9  1  0.250  0.687  0.874  1.0
  Ti  Ti10  1  0.750  0.813  0.374  1.0
  Ti  Ti11  1  0.750  0.313  0.126  1.0
  O  O12  1  0.250  0.223  0.465  1.0
  O  O13  1  0.250  0.723  0.035  1.0
  O  O14  1  0.750  0.777  0.535  1.0
  O  O15  1  0.750  0.277  0.965  1.0
  O  O16  1  0.250  0.491  0.397  1.0
  O  O17  1  0.250  0.991  0.103  1.0
  O  O18  1  0.750  0.509  0.603  1.0
  O  O19  1  0.750  0.009  0.897  1.0
  O  O20  1  0.250  0.263  0.123  1.0
  O  O21  1  0.250  0.763  0.377  1.0
  O  O22  1  0.750  0.737  0.877  1.0
  O  O23  1  0.750  0.237  0.623  1.0
  O  O24  1  0.250  0.027  0.662  1.0
  O  O25  1  0.250  0.527  0.838  1.0
  O  O26  1  0.750  0.973  0.338  1.0
  O  O27  1  0.750  0.473  0.162  1.0
  O  O28  1  0.250  0.271  0.771  1.0
  O  O29  1  0.250  0.771  0.729  1.0
  O  O30  1  0.750  0.729  0.229  1.0
  O  O31  1  0.750  0.229  0.271  1.0
[/CIF]
.