The crystal structure described by NaSrPrNbO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Pr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form PrO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Sr(2), one Pr(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Sr(1), one Pr(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSrPrNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.509
_cell_length_b   8.531
_cell_length_c   8.515
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.138
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Na  Na2  1  0.000  0.500  0.500  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Sr  Sr4  1  0.500  0.000  0.500  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sr  Sr6  1  0.000  0.500  0.000  1.0
  Sr  Sr7  1  0.000  0.000  0.500  1.0
  Pr  Pr8  1  0.250  0.250  0.250  1.0
  Pr  Pr9  1  0.750  0.750  0.250  1.0
  Pr  Pr10  1  0.750  0.250  0.750  1.0
  Pr  Pr11  1  0.250  0.750  0.750  1.0
  Nb  Nb12  1  0.750  0.750  0.750  1.0
  Nb  Nb13  1  0.250  0.250  0.750  1.0
  Nb  Nb14  1  0.250  0.750  0.250  1.0
  Nb  Nb15  1  0.750  0.250  0.250  1.0
  O  O16  1  0.978  0.193  0.277  1.0
  O  O17  1  0.022  0.807  0.277  1.0
  O  O18  1  0.022  0.193  0.723  1.0
  O  O19  1  0.978  0.807  0.723  1.0
  O  O20  1  0.302  0.977  0.208  1.0
  O  O21  1  0.302  0.023  0.792  1.0
  O  O22  1  0.698  0.023  0.208  1.0
  O  O23  1  0.698  0.977  0.792  1.0
  O  O24  1  0.215  0.299  0.980  1.0
  O  O25  1  0.785  0.299  0.020  1.0
  O  O26  1  0.215  0.701  0.020  1.0
  O  O27  1  0.785  0.701  0.980  1.0
  O  O28  1  0.522  0.307  0.223  1.0
  O  O29  1  0.478  0.693  0.223  1.0
  O  O30  1  0.478  0.307  0.777  1.0
  O  O31  1  0.522  0.693  0.777  1.0
  O  O32  1  0.198  0.523  0.292  1.0
  O  O33  1  0.198  0.477  0.708  1.0
  O  O34  1  0.802  0.477  0.292  1.0
  O  O35  1  0.802  0.523  0.708  1.0
  O  O36  1  0.285  0.201  0.520  1.0
  O  O37  1  0.715  0.201  0.480  1.0
  O  O38  1  0.285  0.799  0.480  1.0
  O  O39  1  0.715  0.799  0.520  1.0
[/CIF]
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The crystal structure described by NaSrPrNbO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Pr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form PrO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-30°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Na(1), one Sr(2), one Pr(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Sr(1), one Pr(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Pr(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSrPrNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.509
_cell_length_b   8.531
_cell_length_c   8.515
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   618.138
_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
  Na  Na0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.500  0.500  0.500  1.0
  Na  Na2  1  0.000  0.500  0.500  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  Sr  Sr4  1  0.500  0.000  0.500  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sr  Sr6  1  0.000  0.500  0.000  1.0
  Sr  Sr7  1  0.000  0.000  0.500  1.0
  Pr  Pr8  1  0.250  0.250  0.250  1.0
  Pr  Pr9  1  0.750  0.750  0.250  1.0
  Pr  Pr10  1  0.750  0.250  0.750  1.0
  Pr  Pr11  1  0.250  0.750  0.750  1.0
  Nb  Nb12  1  0.750  0.750  0.750  1.0
  Nb  Nb13  1  0.250  0.250  0.750  1.0
  Nb  Nb14  1  0.250  0.750  0.250  1.0
  Nb  Nb15  1  0.750  0.250  0.250  1.0
  O  O16  1  0.978  0.193  0.277  1.0
  O  O17  1  0.022  0.807  0.277  1.0
  O  O18  1  0.022  0.193  0.723  1.0
  O  O19  1  0.978  0.807  0.723  1.0
  O  O20  1  0.302  0.977  0.208  1.0
  O  O21  1  0.302  0.023  0.792  1.0
  O  O22  1  0.698  0.023  0.208  1.0
  O  O23  1  0.698  0.977  0.792  1.0
  O  O24  1  0.215  0.299  0.980  1.0
  O  O25  1  0.785  0.299  0.020  1.0
  O  O26  1  0.215  0.701  0.020  1.0
  O  O27  1  0.785  0.701  0.980  1.0
  O  O28  1  0.522  0.307  0.223  1.0
  O  O29  1  0.478  0.693  0.223  1.0
  O  O30  1  0.478  0.307  0.777  1.0
  O  O31  1  0.522  0.693  0.777  1.0
  O  O32  1  0.198  0.523  0.292  1.0
  O  O33  1  0.198  0.477  0.708  1.0
  O  O34  1  0.802  0.477  0.292  1.0
  O  O35  1  0.802  0.523  0.708  1.0
  O  O36  1  0.285  0.201  0.520  1.0
  O  O37  1  0.715  0.201  0.480  1.0
  O  O38  1  0.285  0.799  0.480  1.0
  O  O39  1  0.715  0.799  0.520  1.0
[/CIF]
.