The compound described by LuNbO4 crystallizes in the monoclinic P2/c space group. Lu(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 in a 6-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 to two equivalent Lu(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OLu2Nb2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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   5.329
_cell_length_b   5.050
_cell_length_c   5.235
_cell_angle_alpha   85.220
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.362
_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  0.242  0.500  0.750  1.0
  Lu  Lu1  1  0.758  0.500  0.250  1.0
  Nb  Nb2  1  0.714  0.000  0.750  1.0
  Nb  Nb3  1  0.286  0.000  0.250  1.0
  O  O4  1  0.442  0.757  0.021  1.0
  O  O5  1  0.932  0.748  0.918  1.0
  O  O6  1  0.932  0.252  0.582  1.0
  O  O7  1  0.442  0.243  0.479  1.0
  O  O8  1  0.558  0.757  0.521  1.0
  O  O9  1  0.068  0.748  0.418  1.0
  O  O10  1  0.068  0.252  0.082  1.0
  O  O11  1  0.558  0.243  0.979  1.0
[/CIF]
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The compound described by LuNbO4 crystallizes in the monoclinic P2/c space group. Lu(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 in a 6-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 to two equivalent Lu(1) and two equivalent Nb(1) atoms to form a mixture of distorted corner and edge-sharing OLu2Nb2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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   5.329
_cell_length_b   5.050
_cell_length_c   5.235
_cell_angle_alpha   85.220
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   140.362
_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  0.242  0.500  0.750  1.0
  Lu  Lu1  1  0.758  0.500  0.250  1.0
  Nb  Nb2  1  0.714  0.000  0.750  1.0
  Nb  Nb3  1  0.286  0.000  0.250  1.0
  O  O4  1  0.442  0.757  0.021  1.0
  O  O5  1  0.932  0.748  0.918  1.0
  O  O6  1  0.932  0.252  0.582  1.0
  O  O7  1  0.442  0.243  0.479  1.0
  O  O8  1  0.558  0.757  0.521  1.0
  O  O9  1  0.068  0.748  0.418  1.0
  O  O10  1  0.068  0.252  0.082  1.0
  O  O11  1  0.558  0.243  0.979  1.0
[/CIF]
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