The material described by YNb2NO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to two equivalent N(1), one O(2), one O(3), and two equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one N(2), one O(8), two equivalent O(10), and two equivalent O(9) atoms. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one N(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Nb site, Nb(3) is bonded to one N(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted NbNO5 octahedra that share corners with two equivalent Nb(2)O6 octahedra and edges with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth Nb site, Nb(4) is bonded to one N(2), one O(10), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbNO5 octahedra that share corners with two equivalent Nb(2)O6 octahedra and edges with two equivalent Nb(3)NO5 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Nb(1) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Y(2), one Nb(3), and one Nb(4) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Y(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(2), and one Nb(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Nb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Y(2), one Nb(3), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Y(2) and one Nb(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Y(2) and one Nb(4) atom. is represented by the CIF card [CIF]
data_YNb2NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.294
_cell_length_b   5.944
_cell_length_c   15.043
_cell_angle_alpha   89.674
_cell_angle_beta   89.304
_cell_angle_gamma   89.666
_symmetry_Int_Tables_number   1
_cell_volume   473.328
_cell_formula_units_Z   4
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  0.251  0.702  0.001  1.0
  Y  Y1  1  0.749  0.298  0.999  1.0
  Y  Y2  1  0.750  0.793  0.497  1.0
  Y  Y3  1  0.250  0.207  0.503  1.0
  Nb  Nb4  1  0.720  0.813  0.163  1.0
  Nb  Nb5  1  0.233  0.185  0.170  1.0
  Nb  Nb6  1  0.216  0.678  0.334  1.0
  Nb  Nb7  1  0.748  0.327  0.338  1.0
  Nb  Nb8  1  0.252  0.673  0.662  1.0
  Nb  Nb9  1  0.784  0.322  0.666  1.0
  Nb  Nb10  1  0.767  0.815  0.830  1.0
  Nb  Nb11  1  0.280  0.187  0.837  1.0
  N  N12  1  0.608  0.612  0.082  1.0
  N  N13  1  0.034  0.422  0.402  1.0
  N  N14  1  0.966  0.578  0.598  1.0
  N  N15  1  0.392  0.388  0.918  1.0
  O  O16  1  0.103  0.385  0.086  1.0
  O  O17  1  0.038  0.919  0.102  1.0
  O  O18  1  0.537  0.091  0.101  1.0
  O  O19  1  0.396  0.869  0.243  1.0
  O  O20  1  0.917  0.142  0.248  1.0
  O  O21  1  0.400  0.373  0.255  1.0
  O  O22  1  0.904  0.632  0.257  1.0
  O  O23  1  0.532  0.593  0.398  1.0
  O  O24  1  0.104  0.895  0.416  1.0
  O  O25  1  0.601  0.118  0.419  1.0
  O  O26  1  0.399  0.882  0.581  1.0
  O  O27  1  0.896  0.105  0.584  1.0
  O  O28  1  0.468  0.407  0.602  1.0
  O  O29  1  0.600  0.627  0.745  1.0
  O  O30  1  0.096  0.368  0.743  1.0
  O  O31  1  0.083  0.858  0.752  1.0
  O  O32  1  0.604  0.131  0.757  1.0
  O  O33  1  0.463  0.909  0.899  1.0
  O  O34  1  0.962  0.081  0.898  1.0
  O  O35  1  0.897  0.615  0.914  1.0
[/CIF]
.
The material described by YNb2NO5 crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to two equivalent N(1), one O(2), one O(3), and two equivalent O(1) atoms. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one N(2), one O(8), two equivalent O(10), and two equivalent O(9) atoms. There are four inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a 6-coordinate geometry to one N(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Nb site, Nb(3) is bonded to one N(2), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted NbNO5 octahedra that share corners with two equivalent Nb(2)O6 octahedra and edges with two equivalent Nb(4)NO5 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth Nb site, Nb(4) is bonded to one N(2), one O(10), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbNO5 octahedra that share corners with two equivalent Nb(2)O6 octahedra and edges with two equivalent Nb(3)NO5 octahedra. The corner-sharing octahedral tilt angles are 47°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Nb(1) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Y(2), one Nb(3), and one Nb(4) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Nb(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Y(1), one Nb(1), and one Nb(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Y(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(2), and one Nb(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Nb(2), one Nb(3), and one Nb(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Nb(3), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Y(2), one Nb(3), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to two equivalent Y(2) and one Nb(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to two equivalent Y(2) and one Nb(4) atom. is represented by the CIF card [CIF]
data_YNb2NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.294
_cell_length_b   5.944
_cell_length_c   15.043
_cell_angle_alpha   89.674
_cell_angle_beta   89.304
_cell_angle_gamma   89.666
_symmetry_Int_Tables_number   1
_cell_volume   473.328
_cell_formula_units_Z   4
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  0.251  0.702  0.001  1.0
  Y  Y1  1  0.749  0.298  0.999  1.0
  Y  Y2  1  0.750  0.793  0.497  1.0
  Y  Y3  1  0.250  0.207  0.503  1.0
  Nb  Nb4  1  0.720  0.813  0.163  1.0
  Nb  Nb5  1  0.233  0.185  0.170  1.0
  Nb  Nb6  1  0.216  0.678  0.334  1.0
  Nb  Nb7  1  0.748  0.327  0.338  1.0
  Nb  Nb8  1  0.252  0.673  0.662  1.0
  Nb  Nb9  1  0.784  0.322  0.666  1.0
  Nb  Nb10  1  0.767  0.815  0.830  1.0
  Nb  Nb11  1  0.280  0.187  0.837  1.0
  N  N12  1  0.608  0.612  0.082  1.0
  N  N13  1  0.034  0.422  0.402  1.0
  N  N14  1  0.966  0.578  0.598  1.0
  N  N15  1  0.392  0.388  0.918  1.0
  O  O16  1  0.103  0.385  0.086  1.0
  O  O17  1  0.038  0.919  0.102  1.0
  O  O18  1  0.537  0.091  0.101  1.0
  O  O19  1  0.396  0.869  0.243  1.0
  O  O20  1  0.917  0.142  0.248  1.0
  O  O21  1  0.400  0.373  0.255  1.0
  O  O22  1  0.904  0.632  0.257  1.0
  O  O23  1  0.532  0.593  0.398  1.0
  O  O24  1  0.104  0.895  0.416  1.0
  O  O25  1  0.601  0.118  0.419  1.0
  O  O26  1  0.399  0.882  0.581  1.0
  O  O27  1  0.896  0.105  0.584  1.0
  O  O28  1  0.468  0.407  0.602  1.0
  O  O29  1  0.600  0.627  0.745  1.0
  O  O30  1  0.096  0.368  0.743  1.0
  O  O31  1  0.083  0.858  0.752  1.0
  O  O32  1  0.604  0.131  0.757  1.0
  O  O33  1  0.463  0.909  0.899  1.0
  O  O34  1  0.962  0.081  0.898  1.0
  O  O35  1  0.897  0.615  0.914  1.0
[/CIF]
.