The compound described by NaSrCeBiO6 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. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. 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 Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Sr(2), one Ce(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Sr(1), one Ce(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Ce(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaSrCeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.532
_cell_length_c   8.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.040
_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
  Ce  Ce8  1  0.250  0.250  0.250  1.0
  Ce  Ce9  1  0.750  0.750  0.250  1.0
  Ce  Ce10  1  0.750  0.250  0.750  1.0
  Ce  Ce11  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  0.995  0.204  0.281  1.0
  O  O17  1  0.005  0.796  0.281  1.0
  O  O18  1  0.005  0.204  0.719  1.0
  O  O19  1  0.995  0.796  0.719  1.0
  O  O20  1  0.293  0.995  0.216  1.0
  O  O21  1  0.293  0.005  0.784  1.0
  O  O22  1  0.707  0.005  0.216  1.0
  O  O23  1  0.707  0.995  0.784  1.0
  O  O24  1  0.215  0.294  0.995  1.0
  O  O25  1  0.785  0.294  0.005  1.0
  O  O26  1  0.215  0.706  0.005  1.0
  O  O27  1  0.785  0.706  0.995  1.0
  O  O28  1  0.505  0.296  0.219  1.0
  O  O29  1  0.495  0.704  0.219  1.0
  O  O30  1  0.495  0.296  0.781  1.0
  O  O31  1  0.505  0.704  0.781  1.0
  O  O32  1  0.207  0.505  0.284  1.0
  O  O33  1  0.207  0.495  0.716  1.0
  O  O34  1  0.793  0.495  0.284  1.0
  O  O35  1  0.793  0.505  0.716  1.0
  O  O36  1  0.285  0.206  0.505  1.0
  O  O37  1  0.715  0.206  0.495  1.0
  O  O38  1  0.285  0.794  0.495  1.0
  O  O39  1  0.715  0.794  0.505  1.0
[/CIF]
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The compound described by NaSrCeBiO6 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. Ce(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CeO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. 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 Ce(1)O6 octahedra. The corner-sharing octahedral tilt angles are 25°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one Sr(2), one Ce(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Sr(1), one Ce(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Ce(1), and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaSrCeBiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.516
_cell_length_b   8.532
_cell_length_c   8.534
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   620.040
_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
  Ce  Ce8  1  0.250  0.250  0.250  1.0
  Ce  Ce9  1  0.750  0.750  0.250  1.0
  Ce  Ce10  1  0.750  0.250  0.750  1.0
  Ce  Ce11  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  0.995  0.204  0.281  1.0
  O  O17  1  0.005  0.796  0.281  1.0
  O  O18  1  0.005  0.204  0.719  1.0
  O  O19  1  0.995  0.796  0.719  1.0
  O  O20  1  0.293  0.995  0.216  1.0
  O  O21  1  0.293  0.005  0.784  1.0
  O  O22  1  0.707  0.005  0.216  1.0
  O  O23  1  0.707  0.995  0.784  1.0
  O  O24  1  0.215  0.294  0.995  1.0
  O  O25  1  0.785  0.294  0.005  1.0
  O  O26  1  0.215  0.706  0.005  1.0
  O  O27  1  0.785  0.706  0.995  1.0
  O  O28  1  0.505  0.296  0.219  1.0
  O  O29  1  0.495  0.704  0.219  1.0
  O  O30  1  0.495  0.296  0.781  1.0
  O  O31  1  0.505  0.704  0.781  1.0
  O  O32  1  0.207  0.505  0.284  1.0
  O  O33  1  0.207  0.495  0.716  1.0
  O  O34  1  0.793  0.495  0.284  1.0
  O  O35  1  0.793  0.505  0.716  1.0
  O  O36  1  0.285  0.206  0.505  1.0
  O  O37  1  0.715  0.206  0.495  1.0
  O  O38  1  0.285  0.794  0.495  1.0
  O  O39  1  0.715  0.794  0.505  1.0
[/CIF]
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