The structure described by CsPr2Ti2NbO10 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a body-centered cubic geometry to four equivalent O(5) and four equivalent O(6) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(7), four equivalent O(1), and four equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded to four equivalent O(2), four equivalent O(4), and four equivalent O(7) atoms to form PrO12 cuboctahedra that share corners with four equivalent Pr(2)O12 cuboctahedra, faces with four equivalent Pr(2)O12 cuboctahedra, and faces with four equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and four equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and faces with four equivalent Pr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(5) and four equivalent O(3) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), and four equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Pr(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Pr(2), one Ti(1), and one Nb(1) atom. In the third O site, O(3) is bonded to two equivalent Pr(1) and two equivalent Ti(2) atoms to form a mixture of distorted edge and corner-sharing OPr2Ti2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(2) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to four equivalent Cs(1) and one Ti(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Pr(1), two equivalent Pr(2), and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_CsPr2Ti2NbO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   3.885
_cell_length_c   15.735
_cell_angle_alpha   89.581
_cell_angle_beta   90.419
_cell_angle_gamma   90.149
_symmetry_Int_Tables_number   1
_cell_volume   237.468
_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
  Cs  Cs0  1  0.500  0.500  0.513  1.0
  Pr  Pr1  1  0.510  0.490  0.846  1.0
  Pr  Pr2  1  0.508  0.492  0.128  1.0
  Ti  Ti3  1  0.991  0.009  0.999  1.0
  Ti  Ti4  1  0.000  1.000  0.716  1.0
  Nb  Nb5  1  0.999  0.001  0.279  1.0
  O  O6  1  0.982  0.018  0.879  1.0
  O  O7  1  0.977  0.023  0.127  1.0
  O  O8  1  0.499  0.998  0.752  1.0
  O  O9  1  0.002  0.501  0.752  1.0
  O  O10  1  0.494  0.009  0.246  1.0
  O  O11  1  0.991  0.506  0.246  1.0
  O  O12  1  0.998  0.002  0.608  1.0
  O  O13  1  0.003  0.997  0.393  1.0
  O  O14  1  0.478  0.038  0.009  1.0
  O  O15  1  0.962  0.522  0.009  1.0
[/CIF]
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The structure described by CsPr2Ti2NbO10 crystallizes in the monoclinic Cm space group. Cs(1) is bonded in a body-centered cubic geometry to four equivalent O(5) and four equivalent O(6) atoms. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded in a 10-coordinate geometry to two equivalent O(7), four equivalent O(1), and four equivalent O(3) atoms. In the second Pr site, Pr(2) is bonded to four equivalent O(2), four equivalent O(4), and four equivalent O(7) atoms to form PrO12 cuboctahedra that share corners with four equivalent Pr(2)O12 cuboctahedra, faces with four equivalent Pr(2)O12 cuboctahedra, and faces with four equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), and four equivalent O(7) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and faces with four equivalent Pr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one O(5) and four equivalent O(3) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(6), and four equivalent O(4) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent Pr(1) and one Ti(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Pr(2), one Ti(1), and one Nb(1) atom. In the third O site, O(3) is bonded to two equivalent Pr(1) and two equivalent Ti(2) atoms to form a mixture of distorted edge and corner-sharing OPr2Ti2 tetrahedra. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Pr(2) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to four equivalent Cs(1) and one Ti(2) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to four equivalent Cs(1) and one Nb(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Pr(1), two equivalent Pr(2), and two equivalent Ti(1) atoms. is represented by the CIF file [CIF]
data_CsPr2Ti2NbO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.885
_cell_length_b   3.885
_cell_length_c   15.735
_cell_angle_alpha   89.581
_cell_angle_beta   90.419
_cell_angle_gamma   90.149
_symmetry_Int_Tables_number   1
_cell_volume   237.468
_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
  Cs  Cs0  1  0.500  0.500  0.513  1.0
  Pr  Pr1  1  0.510  0.490  0.846  1.0
  Pr  Pr2  1  0.508  0.492  0.128  1.0
  Ti  Ti3  1  0.991  0.009  0.999  1.0
  Ti  Ti4  1  0.000  1.000  0.716  1.0
  Nb  Nb5  1  0.999  0.001  0.279  1.0
  O  O6  1  0.982  0.018  0.879  1.0
  O  O7  1  0.977  0.023  0.127  1.0
  O  O8  1  0.499  0.998  0.752  1.0
  O  O9  1  0.002  0.501  0.752  1.0
  O  O10  1  0.494  0.009  0.246  1.0
  O  O11  1  0.991  0.506  0.246  1.0
  O  O12  1  0.998  0.002  0.608  1.0
  O  O13  1  0.003  0.997  0.393  1.0
  O  O14  1  0.478  0.038  0.009  1.0
  O  O15  1  0.962  0.522  0.009  1.0
[/CIF]
.