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.
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. There is one shorter (2.32 Å) and one longer (2.37 Å) Y(1)-N(1) bond length. The Y(1)-O(2) bond length is 2.27 Å. The Y(1)-O(3) bond length is 2.26 Å. There is one shorter (2.36 Å) and one longer (2.39 Å) Y(1)-O(1) bond length. 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. The Y(2)-N(2) bond length is 2.29 Å. The Y(2)-O(8) bond length is 2.25 Å. There is one shorter (2.29 Å) and one longer (2.39 Å) Y(2)-O(10) bond length. There is one shorter (2.30 Å) and one longer (2.41 Å) Y(2)-O(9) bond length. 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. The Nb(1)-N(1) bond length is 1.81 Å. The Nb(1)-O(2) bond length is 2.01 Å. The Nb(1)-O(3) bond length is 2.13 Å. The Nb(1)-O(4) bond length is 2.11 Å. The Nb(1)-O(5) bond length is 2.57 Å. The Nb(1)-O(7) bond length is 2.02 Å. 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°. The Nb(2)-O(1) bond length is 1.87 Å. The Nb(2)-O(2) bond length is 2.16 Å. The Nb(2)-O(3) bond length is 1.99 Å. The Nb(2)-O(4) bond length is 2.34 Å. The Nb(2)-O(5) bond length is 2.05 Å. The Nb(2)-O(6) bond length is 1.93 Å. 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°. The Nb(3)-N(2) bond length is 2.07 Å. The Nb(3)-O(4) bond length is 2.01 Å. The Nb(3)-O(6) bond length is 2.37 Å. The Nb(3)-O(7) bond length is 2.06 Å. The Nb(3)-O(8) bond length is 2.00 Å. The Nb(3)-O(9) bond length is 1.88 Å. 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°. The Nb(4)-N(2) bond length is 1.90 Å. The Nb(4)-O(10) bond length is 1.90 Å. The Nb(4)-O(5) bond length is 1.96 Å. The Nb(4)-O(6) bond length is 2.25 Å. The Nb(4)-O(7) bond length is 2.33 Å. The Nb(4)-O(8) bond length is 2.14 Å. 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.