The material structure described by NaLaScSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. La(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ScO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Sc(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one La(1), one Sc(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one La(1), one Sc(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one La(1), one Sc(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one La(1), one Sc(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_NaLaScSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.672
_cell_length_c   5.684
_cell_angle_alpha   90.362
_cell_angle_beta   119.890
_cell_angle_gamma   119.621
_symmetry_Int_Tables_number   1
_cell_volume   129.822
_cell_formula_units_Z   1
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
  La  La0  1  0.235  1.000  0.735  1.0
  Na  Na1  1  0.256  0.500  0.257  1.0
  O  O2  1  0.655  0.008  0.163  1.0
  O  O3  1  0.831  0.494  0.825  1.0
  O  O4  1  0.238  0.441  0.700  1.0
  O  O5  1  0.759  0.963  0.700  1.0
  O  O6  1  0.262  0.046  0.311  1.0
  O  O7  1  0.765  0.549  0.311  1.0
  Sb  Sb8  1  0.749  0.251  0.500  1.0
  Sc  Sc9  1  0.749  0.748  0.996  1.0
[/CIF]
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The material structure described by NaLaScSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Na(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. La(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form ScO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Sc(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Sc(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Na(1), one La(1), one Sc(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one La(1), one Sc(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Na(1), one La(1), one Sc(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Na(1), one La(1), one Sc(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_NaLaScSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.672
_cell_length_b   5.672
_cell_length_c   5.684
_cell_angle_alpha   90.362
_cell_angle_beta   119.890
_cell_angle_gamma   119.621
_symmetry_Int_Tables_number   1
_cell_volume   129.822
_cell_formula_units_Z   1
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
  La  La0  1  0.235  1.000  0.735  1.0
  Na  Na1  1  0.256  0.500  0.257  1.0
  O  O2  1  0.655  0.008  0.163  1.0
  O  O3  1  0.831  0.494  0.825  1.0
  O  O4  1  0.238  0.441  0.700  1.0
  O  O5  1  0.759  0.963  0.700  1.0
  O  O6  1  0.262  0.046  0.311  1.0
  O  O7  1  0.765  0.549  0.311  1.0
  Sb  Sb8  1  0.749  0.251  0.500  1.0
  Sc  Sc9  1  0.749  0.748  0.996  1.0
[/CIF]
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