The crystal structure described by YbNbO4 crystallizes in the monoclinic C2/c space group. Yb(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_YbNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.323
_cell_length_c   6.406
_cell_angle_alpha   114.011
_cell_angle_beta   113.545
_cell_angle_gamma   91.199
_symmetry_Int_Tables_number   1
_cell_volume   145.698
_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
  Yb  Yb0  1  0.125  0.375  0.750  1.0
  Yb  Yb1  1  0.875  0.625  0.250  1.0
  Nb  Nb2  1  0.631  0.881  0.762  1.0
  Nb  Nb3  1  0.369  0.119  0.238  1.0
  O  O4  1  0.770  0.967  0.561  1.0
  O  O5  1  0.292  0.594  0.561  1.0
  O  O6  1  0.230  0.033  0.439  1.0
  O  O7  1  0.708  0.406  0.439  1.0
  O  O8  1  0.080  0.268  0.059  1.0
  O  O9  1  0.479  0.791  0.059  1.0
  O  O10  1  0.920  0.732  0.941  1.0
  O  O11  1  0.521  0.209  0.941  1.0
[/CIF]
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The crystal structure described by YbNbO4 crystallizes in the monoclinic C2/c space group. Yb(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted edge-sharing NbO6 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Yb(1) and two equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_YbNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.229
_cell_length_b   5.323
_cell_length_c   6.406
_cell_angle_alpha   114.011
_cell_angle_beta   113.545
_cell_angle_gamma   91.199
_symmetry_Int_Tables_number   1
_cell_volume   145.698
_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
  Yb  Yb0  1  0.125  0.375  0.750  1.0
  Yb  Yb1  1  0.875  0.625  0.250  1.0
  Nb  Nb2  1  0.631  0.881  0.762  1.0
  Nb  Nb3  1  0.369  0.119  0.238  1.0
  O  O4  1  0.770  0.967  0.561  1.0
  O  O5  1  0.292  0.594  0.561  1.0
  O  O6  1  0.230  0.033  0.439  1.0
  O  O7  1  0.708  0.406  0.439  1.0
  O  O8  1  0.080  0.268  0.059  1.0
  O  O9  1  0.479  0.791  0.059  1.0
  O  O10  1  0.920  0.732  0.941  1.0
  O  O11  1  0.521  0.209  0.941  1.0
[/CIF]
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