The material structure described by Sr2PrNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the cubic Pn-3 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a q6 geometry to twelve equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to eight equivalent O(1) atoms. Pr(1) is bonded to six equivalent O(1) atoms to form PrO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. O(1) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Sr(2), one Pr(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_Sr2PrNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   8.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.920
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.000  0.000  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sr  Sr6  1  0.500  0.000  0.500  1.0
  Sr  Sr7  1  0.000  0.500  0.500  1.0
  Pr  Pr8  1  0.250  0.250  0.250  1.0
  Pr  Pr9  1  0.250  0.750  0.750  1.0
  Pr  Pr10  1  0.750  0.250  0.750  1.0
  Pr  Pr11  1  0.750  0.750  0.250  1.0
  Nb  Nb12  1  0.750  0.750  0.750  1.0
  Nb  Nb13  1  0.750  0.250  0.250  1.0
  Nb  Nb14  1  0.250  0.750  0.250  1.0
  Nb  Nb15  1  0.250  0.250  0.750  1.0
  O  O16  1  0.213  0.297  0.520  1.0
  O  O17  1  0.213  0.703  0.480  1.0
  O  O18  1  0.787  0.297  0.480  1.0
  O  O19  1  0.787  0.703  0.520  1.0
  O  O20  1  0.297  0.520  0.213  1.0
  O  O21  1  0.703  0.480  0.213  1.0
  O  O22  1  0.297  0.480  0.787  1.0
  O  O23  1  0.703  0.520  0.787  1.0
  O  O24  1  0.520  0.213  0.297  1.0
  O  O25  1  0.480  0.213  0.703  1.0
  O  O26  1  0.480  0.787  0.297  1.0
  O  O27  1  0.520  0.787  0.703  1.0
  O  O28  1  0.287  0.203  0.980  1.0
  O  O29  1  0.287  0.797  0.020  1.0
  O  O30  1  0.713  0.203  0.020  1.0
  O  O31  1  0.713  0.797  0.980  1.0
  O  O32  1  0.203  0.980  0.287  1.0
  O  O33  1  0.797  0.020  0.287  1.0
  O  O34  1  0.203  0.020  0.713  1.0
  O  O35  1  0.797  0.980  0.713  1.0
  O  O36  1  0.980  0.287  0.203  1.0
  O  O37  1  0.020  0.287  0.797  1.0
  O  O38  1  0.020  0.713  0.203  1.0
  O  O39  1  0.980  0.713  0.797  1.0
[/CIF]
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The material structure described by Sr2PrNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the cubic Pn-3 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a q6 geometry to twelve equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to eight equivalent O(1) atoms. Pr(1) is bonded to six equivalent O(1) atoms to form PrO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. O(1) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Sr(2), one Pr(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_Sr2PrNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   8.499
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   613.920
_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
  Sr  Sr0  1  0.500  0.500  0.500  1.0
  Sr  Sr1  1  0.000  0.000  0.000  1.0
  Sr  Sr2  1  0.000  0.000  0.500  1.0
  Sr  Sr3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.000  0.000  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sr  Sr6  1  0.500  0.000  0.500  1.0
  Sr  Sr7  1  0.000  0.500  0.500  1.0
  Pr  Pr8  1  0.250  0.250  0.250  1.0
  Pr  Pr9  1  0.250  0.750  0.750  1.0
  Pr  Pr10  1  0.750  0.250  0.750  1.0
  Pr  Pr11  1  0.750  0.750  0.250  1.0
  Nb  Nb12  1  0.750  0.750  0.750  1.0
  Nb  Nb13  1  0.750  0.250  0.250  1.0
  Nb  Nb14  1  0.250  0.750  0.250  1.0
  Nb  Nb15  1  0.250  0.250  0.750  1.0
  O  O16  1  0.213  0.297  0.520  1.0
  O  O17  1  0.213  0.703  0.480  1.0
  O  O18  1  0.787  0.297  0.480  1.0
  O  O19  1  0.787  0.703  0.520  1.0
  O  O20  1  0.297  0.520  0.213  1.0
  O  O21  1  0.703  0.480  0.213  1.0
  O  O22  1  0.297  0.480  0.787  1.0
  O  O23  1  0.703  0.520  0.787  1.0
  O  O24  1  0.520  0.213  0.297  1.0
  O  O25  1  0.480  0.213  0.703  1.0
  O  O26  1  0.480  0.787  0.297  1.0
  O  O27  1  0.520  0.787  0.703  1.0
  O  O28  1  0.287  0.203  0.980  1.0
  O  O29  1  0.287  0.797  0.020  1.0
  O  O30  1  0.713  0.203  0.020  1.0
  O  O31  1  0.713  0.797  0.980  1.0
  O  O32  1  0.203  0.980  0.287  1.0
  O  O33  1  0.797  0.020  0.287  1.0
  O  O34  1  0.203  0.020  0.713  1.0
  O  O35  1  0.797  0.980  0.713  1.0
  O  O36  1  0.980  0.287  0.203  1.0
  O  O37  1  0.020  0.287  0.797  1.0
  O  O38  1  0.020  0.713  0.203  1.0
  O  O39  1  0.980  0.713  0.797  1.0
[/CIF]
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