The material described by YNb2NO5 crystallizes in the triclinic P1 space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one N(4), one O(1), one O(18), one O(2), one O(20), and one O(3) atom. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one N(4), one O(1), one O(19), one O(2), one O(20), and one O(4) atom. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(8), and one O(9) atom. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one N(2), one O(10), one O(11), one O(12), one O(14), and one O(9) atom. There are eight inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form a mixture of distorted edge and corner-sharing NbNO5 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. In the second Nb site, Nb(2) is bonded to one N(1), one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted edge and corner-sharing NbNO5 octahedra. The corner-sharing octahedral tilt angles are 56°. In the third Nb site, Nb(3) is bonded to one N(2), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted corner-sharing NbNO5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one N(1), one N(2), one O(10), one O(6), one O(7), and one O(8) atom. In the fifth Nb site, Nb(5) is bonded to one O(11), one O(13), one O(14), one O(15), one O(16), and one O(17) atom to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the sixth Nb site, Nb(6) is bonded to one N(3), one O(12), one O(13), one O(14), one O(15), and one O(16) atom to form distorted NbNO5 octahedra that share corners with two equivalent Nb(7)NO5 octahedra and edges with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the seventh Nb site, Nb(7) is bonded to one N(3), one O(15), one O(17), one O(18), one O(19), and one O(20) atom to form distorted NbNO5 octahedra that share corners with two equivalent Nb(6)NO5 octahedra and corners with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the eighth Nb site, Nb(8) is bonded in a 6-coordinate geometry to one N(3), one N(4), one O(16), one O(17), one O(18), and one O(19) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(4) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Y(4), one Nb(3), and one Nb(4) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Nb(6), one Nb(7), and one Nb(8) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Nb(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Nb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted 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 Y(2), one Nb(1), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar 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 distorted trigonal planar geometry to one Y(3), one Nb(3), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Y(3), one Y(4), and one Nb(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Y(3), one Y(4), and one Nb(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Y(3), one Y(4), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Y(3), one Y(4), and one Nb(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Y(3), one Nb(5), and one Nb(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Y(4), one Nb(5), and one Nb(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Nb(5), one Nb(6), and one Nb(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Nb(5), one Nb(6), and one Nb(8) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Nb(5), one Nb(7), and one Nb(8) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Y(1), one Nb(7), and one Nb(8) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Y(2), one Nb(7), and one Nb(8) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Nb(7) atom. is represented by the CIF card [CIF]
data_YNb2NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.924
_cell_length_c   14.997
_cell_angle_alpha   89.821
_cell_angle_beta   89.779
_cell_angle_gamma   89.804
_symmetry_Int_Tables_number   1
_cell_volume   469.386
_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  0.253  0.700  0.002  1.0
  Y  Y1  1  0.754  0.295  0.000  1.0
  Y  Y2  1  0.755  0.796  0.498  1.0
  Y  Y3  1  0.250  0.210  0.501  1.0
  Nb  Nb4  1  0.726  0.828  0.169  1.0
  Nb  Nb5  1  0.220  0.181  0.172  1.0
  Nb  Nb6  1  0.218  0.672  0.339  1.0
  Nb  Nb7  1  0.742  0.313  0.332  1.0
  Nb  Nb8  1  0.269  0.678  0.666  1.0
  Nb  Nb9  1  0.770  0.307  0.673  1.0
  Nb  Nb10  1  0.764  0.825  0.832  1.0
  Nb  Nb11  1  0.285  0.190  0.836  1.0
  N  N12  1  0.906  0.121  0.245  1.0
  N  N13  1  0.032  0.426  0.400  1.0
  N  N14  1  0.604  0.121  0.756  1.0
  N  N15  1  0.399  0.390  0.918  1.0
  O  O16  1  0.102  0.390  0.086  1.0
  O  O17  1  0.610  0.616  0.083  1.0
  O  O18  1  0.029  0.919  0.096  1.0
  O  O19  1  0.530  0.084  0.097  1.0
  O  O20  1  0.398  0.868  0.240  1.0
  O  O21  1  0.406  0.372  0.254  1.0
  O  O22  1  0.900  0.632  0.253  1.0
  O  O23  1  0.531  0.596  0.399  1.0
  O  O24  1  0.104  0.898  0.418  1.0
  O  O25  1  0.600  0.114  0.418  1.0
  O  O26  1  0.399  0.886  0.582  1.0
  O  O27  1  0.899  0.109  0.583  1.0
  O  O28  1  0.977  0.587  0.596  1.0
  O  O29  1  0.470  0.416  0.600  1.0
  O  O30  1  0.599  0.626  0.743  1.0
  O  O31  1  0.095  0.373  0.742  1.0
  O  O32  1  0.088  0.854  0.753  1.0
  O  O33  1  0.460  0.907  0.901  1.0
  O  O34  1  0.962  0.081  0.899  1.0
  O  O35  1  0.895  0.620  0.917  1.0
[/CIF]
.
The material described by YNb2NO5 crystallizes in the triclinic P1 space group. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one N(4), one O(1), one O(18), one O(2), one O(20), and one O(3) atom. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one N(4), one O(1), one O(19), one O(2), one O(20), and one O(4) atom. In the third Y site, Y(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(8), and one O(9) atom. In the fourth Y site, Y(4) is bonded in a 6-coordinate geometry to one N(2), one O(10), one O(11), one O(12), one O(14), and one O(9) atom. There are eight inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form a mixture of distorted edge and corner-sharing NbNO5 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. In the second Nb site, Nb(2) is bonded to one N(1), one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted edge and corner-sharing NbNO5 octahedra. The corner-sharing octahedral tilt angles are 56°. In the third Nb site, Nb(3) is bonded to one N(2), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted corner-sharing NbNO5 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth Nb site, Nb(4) is bonded in a 6-coordinate geometry to one N(1), one N(2), one O(10), one O(6), one O(7), and one O(8) atom. In the fifth Nb site, Nb(5) is bonded to one O(11), one O(13), one O(14), one O(15), one O(16), and one O(17) atom to form a mixture of distorted edge and corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. In the sixth Nb site, Nb(6) is bonded to one N(3), one O(12), one O(13), one O(14), one O(15), and one O(16) atom to form distorted NbNO5 octahedra that share corners with two equivalent Nb(7)NO5 octahedra and edges with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the seventh Nb site, Nb(7) is bonded to one N(3), one O(15), one O(17), one O(18), one O(19), and one O(20) atom to form distorted NbNO5 octahedra that share corners with two equivalent Nb(6)NO5 octahedra and corners with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-52°. In the eighth Nb site, Nb(8) is bonded in a 6-coordinate geometry to one N(3), one N(4), one O(16), one O(17), one O(18), and one O(19) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(4) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Y(4), one Nb(3), and one Nb(4) atom. In the third N site, N(3) is bonded in a distorted trigonal planar geometry to one Nb(6), one Nb(7), and one Nb(8) atom. In the fourth N site, N(4) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Nb(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Nb(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted 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 Y(2), one Nb(1), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(2), and one Nb(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar 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 distorted trigonal planar geometry to one Y(3), one Nb(3), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Y(3), one Y(4), and one Nb(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Y(3), one Y(4), and one Nb(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Y(3), one Y(4), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Y(3), one Y(4), and one Nb(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Y(3), one Nb(5), and one Nb(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Y(4), one Nb(5), and one Nb(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Nb(5), one Nb(6), and one Nb(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Nb(5), one Nb(6), and one Nb(8) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Nb(5), one Nb(7), and one Nb(8) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Y(1), one Nb(7), and one Nb(8) atom. In the nineteenth O site, O(19) is bonded in a trigonal planar geometry to one Y(2), one Nb(7), and one Nb(8) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Nb(7) atom. is represented by the CIF card [CIF]
data_YNb2NO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.924
_cell_length_c   14.997
_cell_angle_alpha   89.821
_cell_angle_beta   89.779
_cell_angle_gamma   89.804
_symmetry_Int_Tables_number   1
_cell_volume   469.386
_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  0.253  0.700  0.002  1.0
  Y  Y1  1  0.754  0.295  0.000  1.0
  Y  Y2  1  0.755  0.796  0.498  1.0
  Y  Y3  1  0.250  0.210  0.501  1.0
  Nb  Nb4  1  0.726  0.828  0.169  1.0
  Nb  Nb5  1  0.220  0.181  0.172  1.0
  Nb  Nb6  1  0.218  0.672  0.339  1.0
  Nb  Nb7  1  0.742  0.313  0.332  1.0
  Nb  Nb8  1  0.269  0.678  0.666  1.0
  Nb  Nb9  1  0.770  0.307  0.673  1.0
  Nb  Nb10  1  0.764  0.825  0.832  1.0
  Nb  Nb11  1  0.285  0.190  0.836  1.0
  N  N12  1  0.906  0.121  0.245  1.0
  N  N13  1  0.032  0.426  0.400  1.0
  N  N14  1  0.604  0.121  0.756  1.0
  N  N15  1  0.399  0.390  0.918  1.0
  O  O16  1  0.102  0.390  0.086  1.0
  O  O17  1  0.610  0.616  0.083  1.0
  O  O18  1  0.029  0.919  0.096  1.0
  O  O19  1  0.530  0.084  0.097  1.0
  O  O20  1  0.398  0.868  0.240  1.0
  O  O21  1  0.406  0.372  0.254  1.0
  O  O22  1  0.900  0.632  0.253  1.0
  O  O23  1  0.531  0.596  0.399  1.0
  O  O24  1  0.104  0.898  0.418  1.0
  O  O25  1  0.600  0.114  0.418  1.0
  O  O26  1  0.399  0.886  0.582  1.0
  O  O27  1  0.899  0.109  0.583  1.0
  O  O28  1  0.977  0.587  0.596  1.0
  O  O29  1  0.470  0.416  0.600  1.0
  O  O30  1  0.599  0.626  0.743  1.0
  O  O31  1  0.095  0.373  0.742  1.0
  O  O32  1  0.088  0.854  0.753  1.0
  O  O33  1  0.460  0.907  0.901  1.0
  O  O34  1  0.962  0.081  0.899  1.0
  O  O35  1  0.895  0.620  0.917  1.0
[/CIF]
.