The material structure described by Y3NbO7 crystallizes in the monoclinic Cm space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(8) atoms to form distorted corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the second Y site, Y(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Nb(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(5), one O(6), one O(8), two equivalent O(4), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Y(2), and two equivalent Y(3) atoms to form OY4 tetrahedra that share corners with two equivalent O(4)Y2Nb2 tetrahedra, corners with two equivalent O(7)Y2Nb2 tetrahedra, corners with two equivalent O(3)Y4 tetrahedra, corners with four equivalent O(2)Y3Nb tetrahedra, corners with four equivalent O(5)Y3Nb tetrahedra, edges with two equivalent O(6)Y3Nb tetrahedra, and edges with two equivalent O(8)Y3Nb tetrahedra. In the second O site, O(2) is bonded to one Y(1), one Y(3), one Y(4), and one Nb(1) atom to form OY3Nb tetrahedra that share  a cornercorner with one O(2)Y3Nb tetrahedra,  a cornercorner with one O(8)Y3Nb tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with three equivalent O(5)Y3Nb tetrahedra, corners with three equivalent O(6)Y3Nb tetrahedra, corners with four equivalent O(4)Y2Nb2 tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(7)Y2Nb2 tetrahedra, and edges with two equivalent O(8)Y3Nb tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Y(2), and two equivalent Y(4) atoms to form OY4 tetrahedra that share corners with two equivalent O(4)Y2Nb2 tetrahedra, corners with two equivalent O(7)Y2Nb2 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(6)Y3Nb tetrahedra, corners with four equivalent O(8)Y3Nb tetrahedra, edges with two equivalent O(2)Y3Nb tetrahedra, and edges with two equivalent O(5)Y3Nb tetrahedra. In the fourth O site, O(4) is bonded to one Y(3), one Y(4), and two equivalent Nb(1) atoms to form distorted OY2Nb2 tetrahedra that share  a cornercorner with one O(1)Y4 tetrahedra,  a cornercorner with one O(3)Y4 tetrahedra, corners with two equivalent O(4)Y2Nb2 tetrahedra, corners with two equivalent O(7)Y2Nb2 tetrahedra, corners with four equivalent O(2)Y3Nb tetrahedra, corners with four equivalent O(5)Y3Nb tetrahedra, edges with two equivalent O(7)Y2Nb2 tetrahedra, edges with two equivalent O(6)Y3Nb tetrahedra, and edges with two equivalent O(8)Y3Nb tetrahedra. In the fifth O site, O(5) is bonded to one Y(2), one Y(3), one Y(4), and one Nb(1) atom to form distorted OY3Nb tetrahedra that share  a cornercorner with one O(5)Y3Nb tetrahedra,  a cornercorner with one O(6)Y3Nb tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with three equivalent O(2)Y3Nb tetrahedra, corners with three equivalent O(8)Y3Nb tetrahedra, corners with four equivalent O(4)Y2Nb2 tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(7)Y2Nb2 tetrahedra, and edges with two equivalent O(6)Y3Nb tetrahedra. In the sixth O site, O(6) is bonded to one Y(2), one Y(3), one Y(4), and one Nb(1) atom to form OY3Nb tetrahedra that share  a cornercorner with one O(5)Y3Nb tetrahedra,  a cornercorner with one O(6)Y3Nb tetrahedra, corners with two equivalent O(3)Y4 tetrahedra, corners with three equivalent O(2)Y3Nb tetrahedra, corners with three equivalent O(8)Y3Nb tetrahedra, corners with four equivalent O(7)Y2Nb2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, edges with two equivalent O(4)Y2Nb2 tetrahedra, and edges with two equivalent O(5)Y3Nb tetrahedra. In the seventh O site, O(7) is bonded to one Y(3), one Y(4), and two equivalent Nb(1) atoms to form distorted OY2Nb2 tetrahedra that share  a cornercorner with one O(1)Y4 tetrahedra,  a cornercorner with one O(3)Y4 tetrahedra, corners with two equivalent O(4)Y2Nb2 tetrahedra, corners with two equivalent O(7)Y2Nb2 tetrahedra, corners with four equivalent O(6)Y3Nb tetrahedra, corners with four equivalent O(8)Y3Nb tetrahedra, edges with two equivalent O(4)Y2Nb2 tetrahedra, edges with two equivalent O(2)Y3Nb tetrahedra, and edges with two equivalent O(5)Y3Nb tetrahedra. In the eighth O site, O(8) is bonded to one Y(1), one Y(3), one Y(4), and one Nb(1) atom to form OY3Nb tetrahedra that share  a cornercorner with one O(2)Y3Nb tetrahedra,  a cornercorner with one O(8)Y3Nb tetrahedra, corners with two equivalent O(3)Y4 tetrahedra, corners with three equivalent O(5)Y3Nb tetrahedra, corners with three equivalent O(6)Y3Nb tetrahedra, corners with four equivalent O(7)Y2Nb2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, edges with two equivalent O(4)Y2Nb2 tetrahedra, and edges with two equivalent O(2)Y3Nb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3NbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.213
_cell_length_b   8.213
_cell_length_c   5.367
_cell_angle_alpha   89.971
_cell_angle_beta   89.971
_cell_angle_gamma   124.435
_symmetry_Int_Tables_number   1
_cell_volume   298.569
_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
  Y  Y0  1  0.996  0.996  0.998  1.0
  Y  Y1  1  0.496  0.496  0.996  1.0
  Y  Y2  1  0.379  0.117  0.527  1.0
  Y  Y3  1  0.117  0.379  0.527  1.0
  Y  Y4  1  0.877  0.620  0.479  1.0
  Y  Y5  1  0.620  0.877  0.479  1.0
  Nb  Nb6  1  0.282  0.783  0.005  1.0
  Nb  Nb7  1  0.783  0.282  0.005  1.0
  O  O8  1  0.246  0.246  0.758  1.0
  O  O9  1  0.157  0.901  0.237  1.0
  O  O10  1  0.746  0.746  0.241  1.0
  O  O11  1  0.002  0.483  0.793  1.0
  O  O12  1  0.600  0.335  0.230  1.0
  O  O13  1  0.654  0.401  0.754  1.0
  O  O14  1  0.901  0.157  0.237  1.0
  O  O15  1  0.502  0.983  0.225  1.0
  O  O16  1  0.483  0.002  0.793  1.0
  O  O17  1  0.099  0.839  0.761  1.0
  O  O18  1  0.401  0.654  0.754  1.0
  O  O19  1  0.335  0.600  0.230  1.0
  O  O20  1  0.983  0.502  0.225  1.0
  O  O21  1  0.839  0.099  0.761  1.0
[/CIF]
.
The material structure described by Y3NbO7 crystallizes in the monoclinic Cm space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(8) atoms to form distorted corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the second Y site, Y(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles range from 68-69°. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. Nb(1) is bonded in a distorted body-centered cubic geometry to one O(2), one O(5), one O(6), one O(8), two equivalent O(4), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Y(2), and two equivalent Y(3) atoms to form OY4 tetrahedra that share corners with two equivalent O(4)Y2Nb2 tetrahedra, corners with two equivalent O(7)Y2Nb2 tetrahedra, corners with two equivalent O(3)Y4 tetrahedra, corners with four equivalent O(2)Y3Nb tetrahedra, corners with four equivalent O(5)Y3Nb tetrahedra, edges with two equivalent O(6)Y3Nb tetrahedra, and edges with two equivalent O(8)Y3Nb tetrahedra. In the second O site, O(2) is bonded to one Y(1), one Y(3), one Y(4), and one Nb(1) atom to form OY3Nb tetrahedra that share  a cornercorner with one O(2)Y3Nb tetrahedra,  a cornercorner with one O(8)Y3Nb tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with three equivalent O(5)Y3Nb tetrahedra, corners with three equivalent O(6)Y3Nb tetrahedra, corners with four equivalent O(4)Y2Nb2 tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(7)Y2Nb2 tetrahedra, and edges with two equivalent O(8)Y3Nb tetrahedra. In the third O site, O(3) is bonded to one Y(1), one Y(2), and two equivalent Y(4) atoms to form OY4 tetrahedra that share corners with two equivalent O(4)Y2Nb2 tetrahedra, corners with two equivalent O(7)Y2Nb2 tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(6)Y3Nb tetrahedra, corners with four equivalent O(8)Y3Nb tetrahedra, edges with two equivalent O(2)Y3Nb tetrahedra, and edges with two equivalent O(5)Y3Nb tetrahedra. In the fourth O site, O(4) is bonded to one Y(3), one Y(4), and two equivalent Nb(1) atoms to form distorted OY2Nb2 tetrahedra that share  a cornercorner with one O(1)Y4 tetrahedra,  a cornercorner with one O(3)Y4 tetrahedra, corners with two equivalent O(4)Y2Nb2 tetrahedra, corners with two equivalent O(7)Y2Nb2 tetrahedra, corners with four equivalent O(2)Y3Nb tetrahedra, corners with four equivalent O(5)Y3Nb tetrahedra, edges with two equivalent O(7)Y2Nb2 tetrahedra, edges with two equivalent O(6)Y3Nb tetrahedra, and edges with two equivalent O(8)Y3Nb tetrahedra. In the fifth O site, O(5) is bonded to one Y(2), one Y(3), one Y(4), and one Nb(1) atom to form distorted OY3Nb tetrahedra that share  a cornercorner with one O(5)Y3Nb tetrahedra,  a cornercorner with one O(6)Y3Nb tetrahedra, corners with two equivalent O(1)Y4 tetrahedra, corners with three equivalent O(2)Y3Nb tetrahedra, corners with three equivalent O(8)Y3Nb tetrahedra, corners with four equivalent O(4)Y2Nb2 tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(7)Y2Nb2 tetrahedra, and edges with two equivalent O(6)Y3Nb tetrahedra. In the sixth O site, O(6) is bonded to one Y(2), one Y(3), one Y(4), and one Nb(1) atom to form OY3Nb tetrahedra that share  a cornercorner with one O(5)Y3Nb tetrahedra,  a cornercorner with one O(6)Y3Nb tetrahedra, corners with two equivalent O(3)Y4 tetrahedra, corners with three equivalent O(2)Y3Nb tetrahedra, corners with three equivalent O(8)Y3Nb tetrahedra, corners with four equivalent O(7)Y2Nb2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, edges with two equivalent O(4)Y2Nb2 tetrahedra, and edges with two equivalent O(5)Y3Nb tetrahedra. In the seventh O site, O(7) is bonded to one Y(3), one Y(4), and two equivalent Nb(1) atoms to form distorted OY2Nb2 tetrahedra that share  a cornercorner with one O(1)Y4 tetrahedra,  a cornercorner with one O(3)Y4 tetrahedra, corners with two equivalent O(4)Y2Nb2 tetrahedra, corners with two equivalent O(7)Y2Nb2 tetrahedra, corners with four equivalent O(6)Y3Nb tetrahedra, corners with four equivalent O(8)Y3Nb tetrahedra, edges with two equivalent O(4)Y2Nb2 tetrahedra, edges with two equivalent O(2)Y3Nb tetrahedra, and edges with two equivalent O(5)Y3Nb tetrahedra. In the eighth O site, O(8) is bonded to one Y(1), one Y(3), one Y(4), and one Nb(1) atom to form OY3Nb tetrahedra that share  a cornercorner with one O(2)Y3Nb tetrahedra,  a cornercorner with one O(8)Y3Nb tetrahedra, corners with two equivalent O(3)Y4 tetrahedra, corners with three equivalent O(5)Y3Nb tetrahedra, corners with three equivalent O(6)Y3Nb tetrahedra, corners with four equivalent O(7)Y2Nb2 tetrahedra,  an edgeedge with one O(1)Y4 tetrahedra, edges with two equivalent O(4)Y2Nb2 tetrahedra, and edges with two equivalent O(2)Y3Nb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3NbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.213
_cell_length_b   8.213
_cell_length_c   5.367
_cell_angle_alpha   89.971
_cell_angle_beta   89.971
_cell_angle_gamma   124.435
_symmetry_Int_Tables_number   1
_cell_volume   298.569
_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
  Y  Y0  1  0.996  0.996  0.998  1.0
  Y  Y1  1  0.496  0.496  0.996  1.0
  Y  Y2  1  0.379  0.117  0.527  1.0
  Y  Y3  1  0.117  0.379  0.527  1.0
  Y  Y4  1  0.877  0.620  0.479  1.0
  Y  Y5  1  0.620  0.877  0.479  1.0
  Nb  Nb6  1  0.282  0.783  0.005  1.0
  Nb  Nb7  1  0.783  0.282  0.005  1.0
  O  O8  1  0.246  0.246  0.758  1.0
  O  O9  1  0.157  0.901  0.237  1.0
  O  O10  1  0.746  0.746  0.241  1.0
  O  O11  1  0.002  0.483  0.793  1.0
  O  O12  1  0.600  0.335  0.230  1.0
  O  O13  1  0.654  0.401  0.754  1.0
  O  O14  1  0.901  0.157  0.237  1.0
  O  O15  1  0.502  0.983  0.225  1.0
  O  O16  1  0.483  0.002  0.793  1.0
  O  O17  1  0.099  0.839  0.761  1.0
  O  O18  1  0.401  0.654  0.754  1.0
  O  O19  1  0.335  0.600  0.230  1.0
  O  O20  1  0.983  0.502  0.225  1.0
  O  O21  1  0.839  0.099  0.761  1.0
[/CIF]
.