The crystal structure described by Lu3NbO7 crystallizes in the monoclinic Pc space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(1) atoms to form distorted corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Lu site, Lu(3) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(5), and two equivalent O(7) atoms. Nb(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(4), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Lu(2), one Lu(3), and two equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra, and  an edgeedge with one O(7)Lu3Nb tetrahedra. In the second O site, O(2) is bonded to one Lu(1), two equivalent Lu(2), and one Nb(1) atom to form distorted OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(4)Lu3Nb tetrahedra. In the third O site, O(3) is bonded to one Lu(2), one Lu(3), and two equivalent Nb(1) atoms to form distorted OLu2Nb2 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra,  an edgeedge with one O(7)Lu3Nb tetrahedra, and edges with two equivalent O(6)Lu2Nb2 tetrahedra. In the fourth O site, O(4) is bonded to one Lu(1), two equivalent Lu(2), and one Nb(1) atom to form OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(2)Lu3Nb tetrahedra. In the fifth O site, O(5) is bonded to one Lu(1), two equivalent Lu(3), and one Nb(1) atom to form distorted OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(7)Lu3Nb tetrahedra. In the sixth O site, O(6) is bonded to one Lu(2), one Lu(3), and two equivalent Nb(1) atoms to form distorted OLu2Nb2 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra,  an edgeedge with one O(7)Lu3Nb tetrahedra, and edges with two equivalent O(3)Lu2Nb2 tetrahedra. In the seventh O site, O(7) is bonded to one Lu(1), two equivalent Lu(3), and one Nb(1) atom to form OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(5)Lu3Nb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu3NbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   7.394
_cell_length_c   8.025
_cell_angle_alpha   62.686
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.993
_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  0.500  1.000  0.999  1.0
  Lu  Lu1  1  0.500  0.500  0.999  1.0
  Lu  Lu2  1  0.973  0.622  0.255  1.0
  Lu  Lu3  1  0.027  0.122  0.255  1.0
  Lu  Lu4  1  0.970  0.880  0.744  1.0
  Lu  Lu5  1  0.030  0.380  0.744  1.0
  Nb  Nb6  1  0.494  0.771  0.498  1.0
  Nb  Nb7  1  0.506  0.271  0.498  1.0
  O  O8  1  0.739  0.749  1.000  1.0
  O  O9  1  0.261  0.838  0.253  1.0
  O  O10  1  0.261  0.249  1.000  1.0
  O  O11  1  0.717  0.990  0.526  1.0
  O  O12  1  0.739  0.338  0.253  1.0
  O  O13  1  0.259  0.409  0.252  1.0
  O  O14  1  0.262  0.095  0.742  1.0
  O  O15  1  0.722  0.504  0.474  1.0
  O  O16  1  0.283  0.490  0.526  1.0
  O  O17  1  0.741  0.909  0.252  1.0
  O  O18  1  0.252  0.659  0.756  1.0
  O  O19  1  0.738  0.595  0.742  1.0
  O  O20  1  0.278  0.004  0.474  1.0
  O  O21  1  0.748  0.159  0.756  1.0
[/CIF]
.
The crystal structure described by Lu3NbO7 crystallizes in the monoclinic Pc space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(2), one O(4), one O(5), one O(7), and two equivalent O(1) atoms to form distorted corner-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(2), and two equivalent O(4) atoms. In the third Lu site, Lu(3) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(6), two equivalent O(5), and two equivalent O(7) atoms. Nb(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(4), one O(5), one O(7), two equivalent O(3), and two equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Lu(2), one Lu(3), and two equivalent Lu(1) atoms to form OLu4 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra, and  an edgeedge with one O(7)Lu3Nb tetrahedra. In the second O site, O(2) is bonded to one Lu(1), two equivalent Lu(2), and one Nb(1) atom to form distorted OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(4)Lu3Nb tetrahedra. In the third O site, O(3) is bonded to one Lu(2), one Lu(3), and two equivalent Nb(1) atoms to form distorted OLu2Nb2 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra,  an edgeedge with one O(7)Lu3Nb tetrahedra, and edges with two equivalent O(6)Lu2Nb2 tetrahedra. In the fourth O site, O(4) is bonded to one Lu(1), two equivalent Lu(2), and one Nb(1) atom to form OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(2)Lu3Nb tetrahedra. In the fifth O site, O(5) is bonded to one Lu(1), two equivalent Lu(3), and one Nb(1) atom to form distorted OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(7)Lu3Nb tetrahedra. In the sixth O site, O(6) is bonded to one Lu(2), one Lu(3), and two equivalent Nb(1) atoms to form distorted OLu2Nb2 tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(2)Lu3Nb tetrahedra,  an edgeedge with one O(4)Lu3Nb tetrahedra,  an edgeedge with one O(5)Lu3Nb tetrahedra,  an edgeedge with one O(7)Lu3Nb tetrahedra, and edges with two equivalent O(3)Lu2Nb2 tetrahedra. In the seventh O site, O(7) is bonded to one Lu(1), two equivalent Lu(3), and one Nb(1) atom to form OLu3Nb tetrahedra that share corners with two equivalent O(3)Lu2Nb2 tetrahedra, corners with two equivalent O(6)Lu2Nb2 tetrahedra, corners with two equivalent O(2)Lu3Nb tetrahedra, corners with two equivalent O(4)Lu3Nb tetrahedra, corners with two equivalent O(5)Lu3Nb tetrahedra, corners with two equivalent O(7)Lu3Nb tetrahedra, corners with two equivalent O(1)Lu4 tetrahedra,  an edgeedge with one O(3)Lu2Nb2 tetrahedra,  an edgeedge with one O(6)Lu2Nb2 tetrahedra,  an edgeedge with one O(1)Lu4 tetrahedra, and edges with two equivalent O(5)Lu3Nb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu3NbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.254
_cell_length_b   7.394
_cell_length_c   8.025
_cell_angle_alpha   62.686
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   276.993
_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  0.500  1.000  0.999  1.0
  Lu  Lu1  1  0.500  0.500  0.999  1.0
  Lu  Lu2  1  0.973  0.622  0.255  1.0
  Lu  Lu3  1  0.027  0.122  0.255  1.0
  Lu  Lu4  1  0.970  0.880  0.744  1.0
  Lu  Lu5  1  0.030  0.380  0.744  1.0
  Nb  Nb6  1  0.494  0.771  0.498  1.0
  Nb  Nb7  1  0.506  0.271  0.498  1.0
  O  O8  1  0.739  0.749  1.000  1.0
  O  O9  1  0.261  0.838  0.253  1.0
  O  O10  1  0.261  0.249  1.000  1.0
  O  O11  1  0.717  0.990  0.526  1.0
  O  O12  1  0.739  0.338  0.253  1.0
  O  O13  1  0.259  0.409  0.252  1.0
  O  O14  1  0.262  0.095  0.742  1.0
  O  O15  1  0.722  0.504  0.474  1.0
  O  O16  1  0.283  0.490  0.526  1.0
  O  O17  1  0.741  0.909  0.252  1.0
  O  O18  1  0.252  0.659  0.756  1.0
  O  O19  1  0.738  0.595  0.742  1.0
  O  O20  1  0.278  0.004  0.474  1.0
  O  O21  1  0.748  0.159  0.756  1.0
[/CIF]
.