The material structure described by Sr2CeNbO6 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 to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share faces with four equivalent Ce(1)O6 octahedra and faces with four equivalent Nb(1)O6 octahedra. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to eight equivalent O(1) atoms. Ce(1) is bonded to six equivalent O(1) atoms to form CeO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ce(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CeNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.493
_cell_length_b   8.493
_cell_length_c   8.493
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   612.668
_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
  Ce  Ce8  1  0.750  0.750  0.750  1.0
  Ce  Ce9  1  0.750  0.250  0.250  1.0
  Ce  Ce10  1  0.250  0.750  0.250  1.0
  Ce  Ce11  1  0.250  0.250  0.750  1.0
  Nb  Nb12  1  0.250  0.250  0.250  1.0
  Nb  Nb13  1  0.250  0.750  0.750  1.0
  Nb  Nb14  1  0.750  0.250  0.750  1.0
  Nb  Nb15  1  0.750  0.750  0.250  1.0
  O  O16  1  0.216  0.293  0.484  1.0
  O  O17  1  0.216  0.707  0.516  1.0
  O  O18  1  0.784  0.293  0.516  1.0
  O  O19  1  0.784  0.707  0.484  1.0
  O  O20  1  0.293  0.484  0.216  1.0
  O  O21  1  0.707  0.516  0.216  1.0
  O  O22  1  0.293  0.516  0.784  1.0
  O  O23  1  0.707  0.484  0.784  1.0
  O  O24  1  0.484  0.216  0.293  1.0
  O  O25  1  0.516  0.216  0.707  1.0
  O  O26  1  0.516  0.784  0.293  1.0
  O  O27  1  0.484  0.784  0.707  1.0
  O  O28  1  0.284  0.207  0.016  1.0
  O  O29  1  0.284  0.793  0.984  1.0
  O  O30  1  0.716  0.207  0.984  1.0
  O  O31  1  0.716  0.793  0.016  1.0
  O  O32  1  0.207  0.016  0.284  1.0
  O  O33  1  0.793  0.984  0.284  1.0
  O  O34  1  0.207  0.984  0.716  1.0
  O  O35  1  0.793  0.016  0.716  1.0
  O  O36  1  0.016  0.284  0.207  1.0
  O  O37  1  0.984  0.284  0.793  1.0
  O  O38  1  0.984  0.716  0.207  1.0
  O  O39  1  0.016  0.716  0.793  1.0
[/CIF]
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The material structure described by Sr2CeNbO6 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 to twelve equivalent O(1) atoms to form SrO12 cuboctahedra that share faces with four equivalent Ce(1)O6 octahedra and faces with four equivalent Nb(1)O6 octahedra. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to eight equivalent O(1) atoms. Ce(1) is bonded to six equivalent O(1) atoms to form CeO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Ce(1)O6 octahedra and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 25°. O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one Ce(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2CeNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.493
_cell_length_b   8.493
_cell_length_c   8.493
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   612.668
_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
  Ce  Ce8  1  0.750  0.750  0.750  1.0
  Ce  Ce9  1  0.750  0.250  0.250  1.0
  Ce  Ce10  1  0.250  0.750  0.250  1.0
  Ce  Ce11  1  0.250  0.250  0.750  1.0
  Nb  Nb12  1  0.250  0.250  0.250  1.0
  Nb  Nb13  1  0.250  0.750  0.750  1.0
  Nb  Nb14  1  0.750  0.250  0.750  1.0
  Nb  Nb15  1  0.750  0.750  0.250  1.0
  O  O16  1  0.216  0.293  0.484  1.0
  O  O17  1  0.216  0.707  0.516  1.0
  O  O18  1  0.784  0.293  0.516  1.0
  O  O19  1  0.784  0.707  0.484  1.0
  O  O20  1  0.293  0.484  0.216  1.0
  O  O21  1  0.707  0.516  0.216  1.0
  O  O22  1  0.293  0.516  0.784  1.0
  O  O23  1  0.707  0.484  0.784  1.0
  O  O24  1  0.484  0.216  0.293  1.0
  O  O25  1  0.516  0.216  0.707  1.0
  O  O26  1  0.516  0.784  0.293  1.0
  O  O27  1  0.484  0.784  0.707  1.0
  O  O28  1  0.284  0.207  0.016  1.0
  O  O29  1  0.284  0.793  0.984  1.0
  O  O30  1  0.716  0.207  0.984  1.0
  O  O31  1  0.716  0.793  0.016  1.0
  O  O32  1  0.207  0.016  0.284  1.0
  O  O33  1  0.793  0.984  0.284  1.0
  O  O34  1  0.207  0.984  0.716  1.0
  O  O35  1  0.793  0.016  0.716  1.0
  O  O36  1  0.016  0.284  0.207  1.0
  O  O37  1  0.984  0.284  0.793  1.0
  O  O38  1  0.984  0.716  0.207  1.0
  O  O39  1  0.016  0.716  0.793  1.0
[/CIF]
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