The compound described by NaLaScNbO6 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(5) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Sc(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-35°. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-35°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent La(1), one Sc(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one Nb(1) atom. In the third O site, O(3) is bonded to two equivalent La(1), one Sc(1), and one Nb(1) atom to form distorted edge-sharing OLa2ScNb tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one Sc(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaScNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   5.692
_cell_length_c   8.130
_cell_angle_alpha   89.725
_cell_angle_beta   89.725
_cell_angle_gamma   90.654
_symmetry_Int_Tables_number   1
_cell_volume   263.422
_cell_formula_units_Z   2
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  0.735  0.265  0.000  1.0
  Na  Na1  1  0.265  0.735  0.000  1.0
  La  La2  1  0.742  0.258  0.500  1.0
  La  La3  1  0.258  0.742  0.500  1.0
  Sc  Sc4  1  0.756  0.756  0.247  1.0
  Sc  Sc5  1  0.244  0.244  0.753  1.0
  Nb  Nb6  1  0.748  0.748  0.763  1.0
  Nb  Nb7  1  0.252  0.252  0.237  1.0
  O  O8  1  0.498  0.010  0.279  1.0
  O  O9  1  0.010  0.498  0.279  1.0
  O  O10  1  0.502  0.990  0.721  1.0
  O  O11  1  0.990  0.502  0.721  1.0
  O  O12  1  0.803  0.803  0.992  1.0
  O  O13  1  0.197  0.197  0.008  1.0
  O  O14  1  0.008  0.008  0.319  1.0
  O  O15  1  0.992  0.992  0.681  1.0
  O  O16  1  0.685  0.685  0.500  1.0
  O  O17  1  0.315  0.315  0.500  1.0
  O  O18  1  0.497  0.497  0.205  1.0
  O  O19  1  0.503  0.503  0.795  1.0
[/CIF]
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The compound described by NaLaScNbO6 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the monoclinic C2/m space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(5) atoms. La(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Sc(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-35°. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-35°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent La(1), one Sc(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one Nb(1) atom. In the third O site, O(3) is bonded to two equivalent La(1), one Sc(1), and one Nb(1) atom to form distorted edge-sharing OLa2ScNb tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent La(1), one Sc(1), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sc(1), and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLaScNbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.692
_cell_length_b   5.692
_cell_length_c   8.130
_cell_angle_alpha   89.725
_cell_angle_beta   89.725
_cell_angle_gamma   90.654
_symmetry_Int_Tables_number   1
_cell_volume   263.422
_cell_formula_units_Z   2
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  0.735  0.265  0.000  1.0
  Na  Na1  1  0.265  0.735  0.000  1.0
  La  La2  1  0.742  0.258  0.500  1.0
  La  La3  1  0.258  0.742  0.500  1.0
  Sc  Sc4  1  0.756  0.756  0.247  1.0
  Sc  Sc5  1  0.244  0.244  0.753  1.0
  Nb  Nb6  1  0.748  0.748  0.763  1.0
  Nb  Nb7  1  0.252  0.252  0.237  1.0
  O  O8  1  0.498  0.010  0.279  1.0
  O  O9  1  0.010  0.498  0.279  1.0
  O  O10  1  0.502  0.990  0.721  1.0
  O  O11  1  0.990  0.502  0.721  1.0
  O  O12  1  0.803  0.803  0.992  1.0
  O  O13  1  0.197  0.197  0.008  1.0
  O  O14  1  0.008  0.008  0.319  1.0
  O  O15  1  0.992  0.992  0.681  1.0
  O  O16  1  0.685  0.685  0.500  1.0
  O  O17  1  0.315  0.315  0.500  1.0
  O  O18  1  0.497  0.497  0.205  1.0
  O  O19  1  0.503  0.503  0.795  1.0
[/CIF]
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