The structure described by LuNbO4 crystallizes in the monoclinic C2/c space group. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Lu(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 Lu(1) and one Nb(1) atom. is represented by the CIF card [CIF]
data_LuNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.431
_cell_length_b   6.431
_cell_length_c   5.055
_cell_angle_alpha   68.543
_cell_angle_beta   68.543
_cell_angle_gamma   114.063
_symmetry_Int_Tables_number   1
_cell_volume   141.336
_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  0.128  0.872  0.750  1.0
  Lu  Lu1  1  0.872  0.128  0.250  1.0
  Nb  Nb2  1  0.610  0.390  0.750  1.0
  Nb  Nb3  1  0.390  0.610  0.250  1.0
  O  O4  1  0.784  0.721  0.285  1.0
  O  O5  1  0.279  0.216  0.215  1.0
  O  O6  1  0.216  0.279  0.715  1.0
  O  O7  1  0.721  0.784  0.785  1.0
  O  O8  1  0.117  0.544  0.165  1.0
  O  O9  1  0.456  0.883  0.335  1.0
  O  O10  1  0.883  0.456  0.835  1.0
  O  O11  1  0.544  0.117  0.665  1.0
[/CIF]
.
The structure described by LuNbO4 crystallizes in the monoclinic C2/c space group. Lu(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Nb(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Lu(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 Lu(1) and one Nb(1) atom. is represented by the CIF card [CIF]
data_LuNbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.431
_cell_length_b   6.431
_cell_length_c   5.055
_cell_angle_alpha   68.543
_cell_angle_beta   68.543
_cell_angle_gamma   114.063
_symmetry_Int_Tables_number   1
_cell_volume   141.336
_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  0.128  0.872  0.750  1.0
  Lu  Lu1  1  0.872  0.128  0.250  1.0
  Nb  Nb2  1  0.610  0.390  0.750  1.0
  Nb  Nb3  1  0.390  0.610  0.250  1.0
  O  O4  1  0.784  0.721  0.285  1.0
  O  O5  1  0.279  0.216  0.215  1.0
  O  O6  1  0.216  0.279  0.715  1.0
  O  O7  1  0.721  0.784  0.785  1.0
  O  O8  1  0.117  0.544  0.165  1.0
  O  O9  1  0.456  0.883  0.335  1.0
  O  O10  1  0.883  0.456  0.835  1.0
  O  O11  1  0.544  0.117  0.665  1.0
[/CIF]
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