The crystal structure described by LiYbNbO3 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. Yb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Yb(1), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Yb(1), and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYbNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.231
_cell_length_b   4.231
_cell_length_c   4.223
_cell_angle_alpha   81.123
_cell_angle_beta   81.123
_cell_angle_gamma   80.810
_symmetry_Int_Tables_number   1
_cell_volume   73.077
_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  0.766  0.766  0.770  1.0
  Yb  Yb1  1  0.110  0.110  0.110  1.0
  Nb  Nb2  1  0.472  0.472  0.475  1.0
  O  O3  1  0.473  0.473  0.977  1.0
  O  O4  1  0.472  0.974  0.476  1.0
  O  O5  1  0.974  0.472  0.476  1.0
[/CIF]
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The crystal structure described by LiYbNbO3 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. Yb(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Yb(1), and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Yb(1), and two equivalent Nb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiYbNbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.231
_cell_length_b   4.231
_cell_length_c   4.223
_cell_angle_alpha   81.123
_cell_angle_beta   81.123
_cell_angle_gamma   80.810
_symmetry_Int_Tables_number   1
_cell_volume   73.077
_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  0.766  0.766  0.770  1.0
  Yb  Yb1  1  0.110  0.110  0.110  1.0
  Nb  Nb2  1  0.472  0.472  0.475  1.0
  O  O3  1  0.473  0.473  0.977  1.0
  O  O4  1  0.472  0.974  0.476  1.0
  O  O5  1  0.974  0.472  0.476  1.0
[/CIF]
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