The crystal structure described by LuNbO4 crystallizes in the monoclinic C2/m space group. Lu(1) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 43°. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Lu(1) and one Nb(1) atom to form a mixture of edge and corner-sharing OLu3Nb tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Lu(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_LuNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.976
_cell_length_b   6.976
_cell_length_c   7.129
_cell_angle_alpha   73.441
_cell_angle_beta   73.441
_cell_angle_gamma   33.299
_symmetry_Int_Tables_number   1
_cell_volume   181.852
_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
  Lu  Lu0  1  0.804  0.804  0.795  1.0
  Lu  Lu1  1  0.196  0.196  0.205  1.0
  Nb  Nb2  1  0.899  0.899  0.214  1.0
  Nb  Nb3  1  0.101  0.101  0.786  1.0
  O  O4  1  0.951  0.951  0.868  1.0
  O  O5  1  0.867  0.867  0.482  1.0
  O  O6  1  0.246  0.246  0.859  1.0
  O  O7  1  0.370  0.370  0.199  1.0
  O  O8  1  0.630  0.630  0.801  1.0
  O  O9  1  0.754  0.754  0.141  1.0
  O  O10  1  0.133  0.133  0.518  1.0
  O  O11  1  0.049  0.049  0.132  1.0
[/CIF]
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The crystal structure described by LuNbO4 crystallizes in the monoclinic C2/m space group. Lu(1) is bonded to one O(1), one O(2), one O(4), and three equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 43°. Nb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Lu(1) and one Nb(1) atom. In the third O site, O(3) is bonded to three equivalent Lu(1) and one Nb(1) atom to form a mixture of edge and corner-sharing OLu3Nb tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Lu(1) and two equivalent Nb(1) atoms. is represented by the CIF file [CIF]
data_LuNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.976
_cell_length_b   6.976
_cell_length_c   7.129
_cell_angle_alpha   73.441
_cell_angle_beta   73.441
_cell_angle_gamma   33.299
_symmetry_Int_Tables_number   1
_cell_volume   181.852
_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
  Lu  Lu0  1  0.804  0.804  0.795  1.0
  Lu  Lu1  1  0.196  0.196  0.205  1.0
  Nb  Nb2  1  0.899  0.899  0.214  1.0
  Nb  Nb3  1  0.101  0.101  0.786  1.0
  O  O4  1  0.951  0.951  0.868  1.0
  O  O5  1  0.867  0.867  0.482  1.0
  O  O6  1  0.246  0.246  0.859  1.0
  O  O7  1  0.370  0.370  0.199  1.0
  O  O8  1  0.630  0.630  0.801  1.0
  O  O9  1  0.754  0.754  0.141  1.0
  O  O10  1  0.133  0.133  0.518  1.0
  O  O11  1  0.049  0.049  0.132  1.0
[/CIF]
.