The material structure described by LiNd2O6 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1) and three equivalent Nd(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one O(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1) and three equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_LiNd2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   7.728
_cell_length_c   7.706
_cell_angle_alpha   68.049
_cell_angle_beta   106.298
_cell_angle_gamma   142.647
_symmetry_Int_Tables_number   1
_cell_volume   163.096
_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  0.500  0.500  0.500  1.0
  Nd  Nd1  1  0.510  0.908  0.341  1.0
  Nd  Nd2  1  0.490  0.092  0.659  1.0
  O  O3  1  0.012  0.617  0.612  1.0
  O  O4  1  0.483  0.901  0.008  1.0
  O  O5  1  0.988  0.383  0.388  1.0
  O  O6  1  0.970  0.093  0.615  1.0
  O  O7  1  0.030  0.907  0.385  1.0
  O  O8  1  0.517  0.099  0.992  1.0
[/CIF]
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The material structure described by LiNd2O6 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent O(1) and two equivalent O(3) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), three equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1) and three equivalent Nd(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Nd(1) and one O(2) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(1) and three equivalent Nd(1) atoms. is represented by the CIF file [CIF]
data_LiNd2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   7.728
_cell_length_c   7.706
_cell_angle_alpha   68.049
_cell_angle_beta   106.298
_cell_angle_gamma   142.647
_symmetry_Int_Tables_number   1
_cell_volume   163.096
_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  0.500  0.500  0.500  1.0
  Nd  Nd1  1  0.510  0.908  0.341  1.0
  Nd  Nd2  1  0.490  0.092  0.659  1.0
  O  O3  1  0.012  0.617  0.612  1.0
  O  O4  1  0.483  0.901  0.008  1.0
  O  O5  1  0.988  0.383  0.388  1.0
  O  O6  1  0.970  0.093  0.615  1.0
  O  O7  1  0.030  0.907  0.385  1.0
  O  O8  1  0.517  0.099  0.992  1.0
[/CIF]
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