The material described by LaNbO4 crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) 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 4-coordinate geometry to two equivalent La(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.579
_cell_length_c   6.853
_cell_angle_alpha   112.351
_cell_angle_beta   110.722
_cell_angle_gamma   94.017
_symmetry_Int_Tables_number   1
_cell_volume   168.346
_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
  La  La0  1  0.879  0.629  0.259  1.0
  La  La1  1  0.121  0.371  0.741  1.0
  Nb  Nb2  1  0.354  0.104  0.209  1.0
  Nb  Nb3  1  0.646  0.896  0.791  1.0
  O  O4  1  0.083  0.271  0.065  1.0
  O  O5  1  0.481  0.794  0.065  1.0
  O  O6  1  0.917  0.729  0.935  1.0
  O  O7  1  0.519  0.206  0.935  1.0
  O  O8  1  0.696  0.357  0.412  1.0
  O  O9  1  0.215  0.055  0.412  1.0
  O  O10  1  0.304  0.643  0.588  1.0
  O  O11  1  0.785  0.945  0.588  1.0
[/CIF]
.
The material described by LaNbO4 crystallizes in the monoclinic C2/c space group. La(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) 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 4-coordinate geometry to two equivalent La(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent La(1) and one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.238
_cell_length_b   5.579
_cell_length_c   6.853
_cell_angle_alpha   112.351
_cell_angle_beta   110.722
_cell_angle_gamma   94.017
_symmetry_Int_Tables_number   1
_cell_volume   168.346
_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
  La  La0  1  0.879  0.629  0.259  1.0
  La  La1  1  0.121  0.371  0.741  1.0
  Nb  Nb2  1  0.354  0.104  0.209  1.0
  Nb  Nb3  1  0.646  0.896  0.791  1.0
  O  O4  1  0.083  0.271  0.065  1.0
  O  O5  1  0.481  0.794  0.065  1.0
  O  O6  1  0.917  0.729  0.935  1.0
  O  O7  1  0.519  0.206  0.935  1.0
  O  O8  1  0.696  0.357  0.412  1.0
  O  O9  1  0.215  0.055  0.412  1.0
  O  O10  1  0.304  0.643  0.588  1.0
  O  O11  1  0.785  0.945  0.588  1.0
[/CIF]
.