The material described by NaSrPrBiO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate 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 Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Pr(1), and one Bi(1) atom. In the second O site, O(2) is bonded to one Na(1), one Sr(1), one Pr(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing ONaSrPrBi tetrahedra. In the third O site, O(3) is bonded to one Na(2), one Sr(2), one Pr(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing ONaSrPrBi tetrahedra. is represented by the CIF file [CIF]
data_NaSrPrBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.499
_cell_length_c   8.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   636.857
_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  0.500  0.000  0.500  1.0
  Na  Na3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.000  0.500  0.500  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sr  Sr6  1  0.500  0.000  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
  Bi  Bi12  1  0.750  0.750  0.750  1.0
  Bi  Bi13  1  0.250  0.250  0.750  1.0
  Bi  Bi14  1  0.250  0.750  0.250  1.0
  Bi  Bi15  1  0.750  0.250  0.250  1.0
  O  O16  1  0.988  0.250  0.311  1.0
  O  O17  1  0.012  0.750  0.311  1.0
  O  O18  1  0.012  0.250  0.689  1.0
  O  O19  1  0.988  0.750  0.689  1.0
  O  O20  1  0.235  0.986  0.168  1.0
  O  O21  1  0.235  0.014  0.832  1.0
  O  O22  1  0.765  0.014  0.168  1.0
  O  O23  1  0.765  0.986  0.832  1.0
  O  O24  1  0.216  0.335  0.986  1.0
  O  O25  1  0.784  0.335  0.014  1.0
  O  O26  1  0.216  0.665  0.014  1.0
  O  O27  1  0.784  0.665  0.986  1.0
  O  O28  1  0.512  0.250  0.189  1.0
  O  O29  1  0.488  0.750  0.189  1.0
  O  O30  1  0.488  0.250  0.811  1.0
  O  O31  1  0.512  0.750  0.811  1.0
  O  O32  1  0.265  0.514  0.332  1.0
  O  O33  1  0.265  0.486  0.668  1.0
  O  O34  1  0.735  0.486  0.332  1.0
  O  O35  1  0.735  0.514  0.668  1.0
  O  O36  1  0.284  0.165  0.514  1.0
  O  O37  1  0.716  0.165  0.486  1.0
  O  O38  1  0.284  0.835  0.486  1.0
  O  O39  1  0.716  0.835  0.514  1.0
[/CIF]
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The material described by NaSrPrBiO6 crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(2) atoms. In the second Na site, Na(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate 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 Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. Bi(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form BiO6 octahedra that share corners with six equivalent Pr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Sr(1), one Sr(2), one Pr(1), and one Bi(1) atom. In the second O site, O(2) is bonded to one Na(1), one Sr(1), one Pr(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing ONaSrPrBi tetrahedra. In the third O site, O(3) is bonded to one Na(2), one Sr(2), one Pr(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing ONaSrPrBi tetrahedra. is represented by the CIF file [CIF]
data_NaSrPrBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.499
_cell_length_c   8.611
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   636.857
_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  0.500  0.000  0.500  1.0
  Na  Na3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  0.000  0.500  0.500  1.0
  Sr  Sr5  1  0.500  0.500  0.000  1.0
  Sr  Sr6  1  0.500  0.000  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
  Bi  Bi12  1  0.750  0.750  0.750  1.0
  Bi  Bi13  1  0.250  0.250  0.750  1.0
  Bi  Bi14  1  0.250  0.750  0.250  1.0
  Bi  Bi15  1  0.750  0.250  0.250  1.0
  O  O16  1  0.988  0.250  0.311  1.0
  O  O17  1  0.012  0.750  0.311  1.0
  O  O18  1  0.012  0.250  0.689  1.0
  O  O19  1  0.988  0.750  0.689  1.0
  O  O20  1  0.235  0.986  0.168  1.0
  O  O21  1  0.235  0.014  0.832  1.0
  O  O22  1  0.765  0.014  0.168  1.0
  O  O23  1  0.765  0.986  0.832  1.0
  O  O24  1  0.216  0.335  0.986  1.0
  O  O25  1  0.784  0.335  0.014  1.0
  O  O26  1  0.216  0.665  0.014  1.0
  O  O27  1  0.784  0.665  0.986  1.0
  O  O28  1  0.512  0.250  0.189  1.0
  O  O29  1  0.488  0.750  0.189  1.0
  O  O30  1  0.488  0.250  0.811  1.0
  O  O31  1  0.512  0.750  0.811  1.0
  O  O32  1  0.265  0.514  0.332  1.0
  O  O33  1  0.265  0.486  0.668  1.0
  O  O34  1  0.735  0.486  0.332  1.0
  O  O35  1  0.735  0.514  0.668  1.0
  O  O36  1  0.284  0.165  0.514  1.0
  O  O37  1  0.716  0.165  0.486  1.0
  O  O38  1  0.284  0.835  0.486  1.0
  O  O39  1  0.716  0.835  0.514  1.0
[/CIF]
.