The crystal structure described by Sr2LaNbO6 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 four equivalent O(1) atoms. La(1) is bonded to six equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one La(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Sr2LaNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.568
_cell_length_b   8.568
_cell_length_c   8.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   629.020
_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
  La  La8  1  0.750  0.750  0.750  1.0
  La  La9  1  0.750  0.250  0.250  1.0
  La  La10  1  0.250  0.750  0.250  1.0
  La  La11  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  0.212  0.298  0.479  1.0
  O  O17  1  0.212  0.702  0.521  1.0
  O  O18  1  0.788  0.298  0.521  1.0
  O  O19  1  0.788  0.702  0.479  1.0
  O  O20  1  0.298  0.479  0.212  1.0
  O  O21  1  0.702  0.521  0.212  1.0
  O  O22  1  0.298  0.521  0.788  1.0
  O  O23  1  0.702  0.479  0.788  1.0
  O  O24  1  0.479  0.212  0.298  1.0
  O  O25  1  0.521  0.212  0.702  1.0
  O  O26  1  0.521  0.788  0.298  1.0
  O  O27  1  0.479  0.788  0.702  1.0
  O  O28  1  0.288  0.202  0.021  1.0
  O  O29  1  0.288  0.798  0.979  1.0
  O  O30  1  0.712  0.202  0.979  1.0
  O  O31  1  0.712  0.798  0.021  1.0
  O  O32  1  0.202  0.021  0.288  1.0
  O  O33  1  0.798  0.979  0.288  1.0
  O  O34  1  0.202  0.979  0.712  1.0
  O  O35  1  0.798  0.021  0.712  1.0
  O  O36  1  0.021  0.288  0.202  1.0
  O  O37  1  0.979  0.288  0.798  1.0
  O  O38  1  0.979  0.712  0.202  1.0
  O  O39  1  0.021  0.712  0.798  1.0
[/CIF]
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The crystal structure described by Sr2LaNbO6 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 four equivalent O(1) atoms. La(1) is bonded to six equivalent O(1) atoms to form LaO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. Nb(1) is bonded to six equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles are 28°. O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one La(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_Sr2LaNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.568
_cell_length_b   8.568
_cell_length_c   8.568
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   629.020
_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
  La  La8  1  0.750  0.750  0.750  1.0
  La  La9  1  0.750  0.250  0.250  1.0
  La  La10  1  0.250  0.750  0.250  1.0
  La  La11  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  0.212  0.298  0.479  1.0
  O  O17  1  0.212  0.702  0.521  1.0
  O  O18  1  0.788  0.298  0.521  1.0
  O  O19  1  0.788  0.702  0.479  1.0
  O  O20  1  0.298  0.479  0.212  1.0
  O  O21  1  0.702  0.521  0.212  1.0
  O  O22  1  0.298  0.521  0.788  1.0
  O  O23  1  0.702  0.479  0.788  1.0
  O  O24  1  0.479  0.212  0.298  1.0
  O  O25  1  0.521  0.212  0.702  1.0
  O  O26  1  0.521  0.788  0.298  1.0
  O  O27  1  0.479  0.788  0.702  1.0
  O  O28  1  0.288  0.202  0.021  1.0
  O  O29  1  0.288  0.798  0.979  1.0
  O  O30  1  0.712  0.202  0.979  1.0
  O  O31  1  0.712  0.798  0.021  1.0
  O  O32  1  0.202  0.021  0.288  1.0
  O  O33  1  0.798  0.979  0.288  1.0
  O  O34  1  0.202  0.979  0.712  1.0
  O  O35  1  0.798  0.021  0.712  1.0
  O  O36  1  0.021  0.288  0.202  1.0
  O  O37  1  0.979  0.288  0.798  1.0
  O  O38  1  0.979  0.712  0.202  1.0
  O  O39  1  0.021  0.712  0.798  1.0
[/CIF]
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