The compound described by LiNd2O6 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing LiO6 octahedra. Nd(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one O(3) atom. In the second O site, O(2) is bonded in a distorted pentagonal planar geometry to two equivalent Li(1), two equivalent Nd(1), and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Nd(1), and one O(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNd2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.549
_cell_length_b   6.535
_cell_length_c   7.213
_cell_angle_alpha   62.780
_cell_angle_beta   108.380
_cell_angle_gamma   134.114
_symmetry_Int_Tables_number   1
_cell_volume   136.873
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.466  0.786  0.360  1.0
  Nd  Nd2  1  0.534  0.214  0.640  1.0
  O  O3  1  0.035  0.765  0.539  1.0
  O  O4  1  0.341  0.847  0.989  1.0
  O  O5  1  0.965  0.235  0.461  1.0
  O  O6  1  0.172  0.316  0.712  1.0
  O  O7  1  0.828  0.684  0.288  1.0
  O  O8  1  0.659  0.153  0.011  1.0
[/CIF]
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The compound described by LiNd2O6 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing LiO6 octahedra. Nd(1) is bonded in a 9-coordinate geometry to two equivalent O(2), three equivalent O(3), and four equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to four equivalent Nd(1) and one O(3) atom. In the second O site, O(2) is bonded in a distorted pentagonal planar geometry to two equivalent Li(1), two equivalent Nd(1), and one O(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), three equivalent Nd(1), and one O(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiNd2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.549
_cell_length_b   6.535
_cell_length_c   7.213
_cell_angle_alpha   62.780
_cell_angle_beta   108.380
_cell_angle_gamma   134.114
_symmetry_Int_Tables_number   1
_cell_volume   136.873
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Nd  Nd1  1  0.466  0.786  0.360  1.0
  Nd  Nd2  1  0.534  0.214  0.640  1.0
  O  O3  1  0.035  0.765  0.539  1.0
  O  O4  1  0.341  0.847  0.989  1.0
  O  O5  1  0.965  0.235  0.461  1.0
  O  O6  1  0.172  0.316  0.712  1.0
  O  O7  1  0.828  0.684  0.288  1.0
  O  O8  1  0.659  0.153  0.011  1.0
[/CIF]
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