The crystal structure described by LiNd2O6 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a linear geometry to two equivalent O(3) and four equivalent O(2) atoms. 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 to four equivalent Nd(1) atoms to form a mixture of distorted edge and corner-sharing ONd4 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate 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 distorted single-bond geometry to one Li(1) and three equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_LiNd2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.400
_cell_length_b   6.299
_cell_length_c   7.073
_cell_angle_alpha   70.661
_cell_angle_beta   108.123
_cell_angle_gamma   134.311
_symmetry_Int_Tables_number   1
_cell_volume   131.438
_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  0.000  1.0
  Nd  Nd1  1  0.434  0.753  0.363  1.0
  Nd  Nd2  1  0.566  0.247  0.637  1.0
  O  O3  1  0.042  0.786  0.511  1.0
  O  O4  1  0.346  0.861  0.970  1.0
  O  O5  1  0.958  0.214  0.489  1.0
  O  O6  1  0.333  0.469  0.728  1.0
  O  O7  1  0.667  0.531  0.272  1.0
  O  O8  1  0.654  0.139  0.030  1.0
[/CIF]
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The crystal structure described by LiNd2O6 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a linear geometry to two equivalent O(3) and four equivalent O(2) atoms. 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 to four equivalent Nd(1) atoms to form a mixture of distorted edge and corner-sharing ONd4 trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate 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 distorted single-bond geometry to one Li(1) and three equivalent Nd(1) atoms. is represented by the CIF card [CIF]
data_LiNd2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.400
_cell_length_b   6.299
_cell_length_c   7.073
_cell_angle_alpha   70.661
_cell_angle_beta   108.123
_cell_angle_gamma   134.311
_symmetry_Int_Tables_number   1
_cell_volume   131.438
_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  0.000  1.0
  Nd  Nd1  1  0.434  0.753  0.363  1.0
  Nd  Nd2  1  0.566  0.247  0.637  1.0
  O  O3  1  0.042  0.786  0.511  1.0
  O  O4  1  0.346  0.861  0.970  1.0
  O  O5  1  0.958  0.214  0.489  1.0
  O  O6  1  0.333  0.469  0.728  1.0
  O  O7  1  0.667  0.531  0.272  1.0
  O  O8  1  0.654  0.139  0.030  1.0
[/CIF]
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