The crystal structure described by LiNdLaSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-34°. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O6 octahedra and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Nd(1), one La(1), and one Sb(1) atom to form distorted corner-sharing OLiLaNdSb tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Nd(1), two equivalent La(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Nd(1), two equivalent La(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Nd(1), one La(1), and one Sb(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Nd(1), one La(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one Nd(1), one La(1), and one Sb(2) atom to form distorted corner-sharing OLiLaNdSb tetrahedra. is represented by the CIF file [CIF]
data_LiLaNdSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.793
_cell_length_c   8.044
_cell_angle_alpha   89.979
_cell_angle_beta   89.654
_cell_angle_gamma   89.614
_symmetry_Int_Tables_number   1
_cell_volume   261.673
_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
  Li  Li0  1  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  La  La2  1  0.985  0.051  0.249  1.0
  La  La3  1  0.015  0.949  0.751  1.0
  Nd  Nd4  1  0.515  0.555  0.251  1.0
  Nd  Nd5  1  0.485  0.445  0.749  1.0
  Sb  Sb6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.106  0.470  0.262  1.0
  O  O9  1  0.213  0.195  0.951  1.0
  O  O10  1  0.193  0.216  0.556  1.0
  O  O11  1  0.314  0.714  0.943  1.0
  O  O12  1  0.286  0.691  0.553  1.0
  O  O13  1  0.403  0.961  0.239  1.0
  O  O14  1  0.597  0.039  0.761  1.0
  O  O15  1  0.714  0.309  0.447  1.0
  O  O16  1  0.686  0.286  0.057  1.0
  O  O17  1  0.807  0.784  0.444  1.0
  O  O18  1  0.787  0.805  0.049  1.0
  O  O19  1  0.894  0.530  0.738  1.0
[/CIF]
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The crystal structure described by LiNdLaSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. Nd(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Li(1)O6 octahedra and corners with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-34°. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Li(2)O6 octahedra and corners with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Nd(1), one La(1), and one Sb(1) atom to form distorted corner-sharing OLiLaNdSb tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Nd(1), two equivalent La(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Nd(1), two equivalent La(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Nd(1), one La(1), and one Sb(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(2), two equivalent Nd(1), one La(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded to one Li(2), one Nd(1), one La(1), and one Sb(2) atom to form distorted corner-sharing OLiLaNdSb tetrahedra. is represented by the CIF file [CIF]
data_LiLaNdSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.793
_cell_length_c   8.044
_cell_angle_alpha   89.979
_cell_angle_beta   89.654
_cell_angle_gamma   89.614
_symmetry_Int_Tables_number   1
_cell_volume   261.673
_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
  Li  Li0  1  0.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  La  La2  1  0.985  0.051  0.249  1.0
  La  La3  1  0.015  0.949  0.751  1.0
  Nd  Nd4  1  0.515  0.555  0.251  1.0
  Nd  Nd5  1  0.485  0.445  0.749  1.0
  Sb  Sb6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.000  0.000  1.0
  O  O8  1  0.106  0.470  0.262  1.0
  O  O9  1  0.213  0.195  0.951  1.0
  O  O10  1  0.193  0.216  0.556  1.0
  O  O11  1  0.314  0.714  0.943  1.0
  O  O12  1  0.286  0.691  0.553  1.0
  O  O13  1  0.403  0.961  0.239  1.0
  O  O14  1  0.597  0.039  0.761  1.0
  O  O15  1  0.714  0.309  0.447  1.0
  O  O16  1  0.686  0.286  0.057  1.0
  O  O17  1  0.807  0.784  0.444  1.0
  O  O18  1  0.787  0.805  0.049  1.0
  O  O19  1  0.894  0.530  0.738  1.0
[/CIF]
.