The compound described by Pr2ScNbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted PrO8 hexagonal bipyramids that share edges with two equivalent Pr(1)O8 hexagonal bipyramids, edges with two equivalent Sc(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. In the second Pr site, Pr(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form ScO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and edges with two equivalent Pr(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 49-55°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, and edges with four equivalent Pr(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent Pr(2) and two equivalent Sc(1) atoms to form distorted OPr2Sc2 tetrahedra that share corners with two equivalent O(4)Pr4 tetrahedra, corners with four equivalent O(2)Pr2Sc2 tetrahedra, corners with eight equivalent O(3)Pr2ScNb tetrahedra,  an edgeedge with one O(4)Pr4 tetrahedra, and edges with four equivalent O(3)Pr2ScNb tetrahedra. In the third O site, O(3) is bonded to one Pr(1), one Pr(2), one Sc(1), and one Nb(1) atom to form distorted OPr2ScNb tetrahedra that share corners with two equivalent O(2)Pr2Sc2 tetrahedra, corners with two equivalent O(4)Pr4 tetrahedra, corners with eight equivalent O(3)Pr2ScNb tetrahedra,  an edgeedge with one O(2)Pr2Sc2 tetrahedra,  an edgeedge with one O(4)Pr4 tetrahedra, and edges with two equivalent O(3)Pr2ScNb tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form OPr4 tetrahedra that share corners with two equivalent O(2)Pr2Sc2 tetrahedra, corners with four equivalent O(4)Pr4 tetrahedra, corners with eight equivalent O(3)Pr2ScNb tetrahedra,  an edgeedge with one O(2)Pr2Sc2 tetrahedra, and edges with four equivalent O(3)Pr2ScNb tetrahedra. is represented by the CIF card [CIF]
data_Pr2ScNbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.567
_cell_length_b   7.567
_cell_length_c   7.567
_cell_angle_alpha   120.481
_cell_angle_beta   119.513
_cell_angle_gamma   90.006
_symmetry_Int_Tables_number   1
_cell_volume   306.309
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Pr  Pr1  1  0.500  0.000  0.000  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Pr  Pr3  1  0.000  0.500  0.500  1.0
  Sc  Sc4  1  0.000  0.000  0.500  1.0
  Sc  Sc5  1  0.000  0.500  0.000  1.0
  Nb  Nb6  1  0.000  0.000  0.000  1.0
  Nb  Nb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.320  0.070  0.250  1.0
  O  O9  1  0.908  0.658  0.250  1.0
  O  O10  1  0.339  0.678  0.266  1.0
  O  O11  1  0.912  0.073  0.234  1.0
  O  O12  1  0.339  0.073  0.661  1.0
  O  O13  1  0.912  0.678  0.839  1.0
  O  O14  1  0.680  0.930  0.750  1.0
  O  O15  1  0.092  0.342  0.750  1.0
  O  O16  1  0.661  0.322  0.734  1.0
  O  O17  1  0.088  0.927  0.766  1.0
  O  O18  1  0.661  0.927  0.339  1.0
  O  O19  1  0.088  0.322  0.161  1.0
  O  O20  1  0.377  0.627  0.750  1.0
  O  O21  1  0.623  0.373  0.250  1.0
[/CIF]
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The compound described by Pr2ScNbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Pr sites. In the first Pr site, Pr(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted PrO8 hexagonal bipyramids that share edges with two equivalent Pr(1)O8 hexagonal bipyramids, edges with two equivalent Sc(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. In the second Pr site, Pr(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form ScO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and edges with two equivalent Pr(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 49-55°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, and edges with four equivalent Pr(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-49°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Pr(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent Pr(2) and two equivalent Sc(1) atoms to form distorted OPr2Sc2 tetrahedra that share corners with two equivalent O(4)Pr4 tetrahedra, corners with four equivalent O(2)Pr2Sc2 tetrahedra, corners with eight equivalent O(3)Pr2ScNb tetrahedra,  an edgeedge with one O(4)Pr4 tetrahedra, and edges with four equivalent O(3)Pr2ScNb tetrahedra. In the third O site, O(3) is bonded to one Pr(1), one Pr(2), one Sc(1), and one Nb(1) atom to form distorted OPr2ScNb tetrahedra that share corners with two equivalent O(2)Pr2Sc2 tetrahedra, corners with two equivalent O(4)Pr4 tetrahedra, corners with eight equivalent O(3)Pr2ScNb tetrahedra,  an edgeedge with one O(2)Pr2Sc2 tetrahedra,  an edgeedge with one O(4)Pr4 tetrahedra, and edges with two equivalent O(3)Pr2ScNb tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Pr(1) and two equivalent Pr(2) atoms to form OPr4 tetrahedra that share corners with two equivalent O(2)Pr2Sc2 tetrahedra, corners with four equivalent O(4)Pr4 tetrahedra, corners with eight equivalent O(3)Pr2ScNb tetrahedra,  an edgeedge with one O(2)Pr2Sc2 tetrahedra, and edges with four equivalent O(3)Pr2ScNb tetrahedra. is represented by the CIF card [CIF]
data_Pr2ScNbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.567
_cell_length_b   7.567
_cell_length_c   7.567
_cell_angle_alpha   120.481
_cell_angle_beta   119.513
_cell_angle_gamma   90.006
_symmetry_Int_Tables_number   1
_cell_volume   306.309
_cell_formula_units_Z   2
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  0.500  0.500  0.500  1.0
  Pr  Pr1  1  0.500  0.000  0.000  1.0
  Pr  Pr2  1  0.500  0.500  0.000  1.0
  Pr  Pr3  1  0.000  0.500  0.500  1.0
  Sc  Sc4  1  0.000  0.000  0.500  1.0
  Sc  Sc5  1  0.000  0.500  0.000  1.0
  Nb  Nb6  1  0.000  0.000  0.000  1.0
  Nb  Nb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.320  0.070  0.250  1.0
  O  O9  1  0.908  0.658  0.250  1.0
  O  O10  1  0.339  0.678  0.266  1.0
  O  O11  1  0.912  0.073  0.234  1.0
  O  O12  1  0.339  0.073  0.661  1.0
  O  O13  1  0.912  0.678  0.839  1.0
  O  O14  1  0.680  0.930  0.750  1.0
  O  O15  1  0.092  0.342  0.750  1.0
  O  O16  1  0.661  0.322  0.734  1.0
  O  O17  1  0.088  0.927  0.766  1.0
  O  O18  1  0.661  0.927  0.339  1.0
  O  O19  1  0.088  0.322  0.161  1.0
  O  O20  1  0.377  0.627  0.750  1.0
  O  O21  1  0.623  0.373  0.250  1.0
[/CIF]
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