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(3), one N(4), one O(1), one O(2), one O(20), one O(3), and one O(4) 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(7), and one O(9) atom. In the fourth Y site, Y(4) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(7), one O(8), 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 N(2), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to one N(2), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Nb site, Nb(4) is bonded to one N(1), one N(2), one O(10), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth Nb site, Nb(5) is bonded in a distorted octahedral geometry to one O(11), one O(13), one O(14), one O(15), one O(16), and one O(17) atom. In the sixth Nb site, Nb(6) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(14), one O(15), one O(16), and one O(18) atom. In the seventh Nb site, Nb(7) is bonded in a 6-coordinate geometry to one N(3), one O(15), one O(17), one O(18), one O(19), and one O(20) atom. 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 Nb(1), 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 Y(1), one Nb(7), and one Nb(8) atom. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar 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 non-coplanar geometry to one Y(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Y(1), 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 4-coordinate geometry to one Y(3), one Y(4), one Nb(3), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Y(4), one Nb(3), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar 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 3-coordinate geometry to one Y(3), one Y(4), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Y(3), one Y(4), and one Nb(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Y(3), one Y(4), one Nb(5), and one Nb(6) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate 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 3-coordinate geometry to one Nb(6), one Nb(7), and one Nb(8) atom. In the nineteenth O site, O(19) is bonded in a distorted 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.
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(3), one N(4), one O(1), one O(2), one O(20), one O(3), and one O(4) atom. The Y(1)-N(3) bond length is 2.30 Å. The Y(1)-N(4) bond length is 2.35 Å. The Y(1)-O(1) bond length is 2.40 Å. The Y(1)-O(2) bond length is 2.27 Å. The Y(1)-O(20) bond length is 2.34 Å. The Y(1)-O(3) bond length is 2.28 Å. The Y(1)-O(4) bond length is 2.81 Å. 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. The Y(2)-N(4) bond length is 2.29 Å. The Y(2)-O(1) bond length is 2.36 Å. The Y(2)-O(19) bond length is 2.28 Å. The Y(2)-O(2) bond length is 2.41 Å. The Y(2)-O(20) bond length is 2.44 Å. The Y(2)-O(4) bond length is 2.28 Å. 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(7), and one O(9) atom. The Y(3)-O(10) bond length is 2.35 Å. The Y(3)-O(11) bond length is 2.30 Å. The Y(3)-O(12) bond length is 2.42 Å. The Y(3)-O(13) bond length is 2.28 Å. The Y(3)-O(7) bond length is 2.26 Å. The Y(3)-O(9) bond length is 2.31 Å. In the fourth Y site, Y(4) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(12), one O(13), one O(14), one O(7), one O(8), and one O(9) atom. The Y(4)-O(10) bond length is 2.26 Å. The Y(4)-O(11) bond length is 2.40 Å. The Y(4)-O(12) bond length is 2.36 Å. The Y(4)-O(13) bond length is 2.95 Å. The Y(4)-O(14) bond length is 2.26 Å. The Y(4)-O(7) bond length is 2.72 Å. The Y(4)-O(8) bond length is 2.24 Å. The Y(4)-O(9) bond length is 2.41 Å. There are eight inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one N(1), one N(2), one O(2), one O(3), one O(4), and one O(5) atom to form distorted corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles are 53°. The Nb(1)-N(1) bond length is 2.25 Å. The Nb(1)-N(2) bond length is 1.92 Å. The Nb(1)-O(2) bond length is 1.92 Å. The Nb(1)-O(3) bond length is 2.01 Å. The Nb(1)-O(4) bond length is 2.28 Å. The Nb(1)-O(5) bond length is 2.09 Å. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to one N(1), one O(1), one O(3), one O(4), one O(5), and one O(6) atom. The Nb(2)-N(1) bond length is 2.06 Å. The Nb(2)-O(1) bond length is 1.86 Å. The Nb(2)-O(3) bond length is 2.14 Å. The Nb(2)-O(4) bond length is 2.00 Å. The Nb(2)-O(5) bond length is 2.45 Å. The Nb(2)-O(6) bond length is 1.97 Å. In the third Nb site, Nb(3) is bonded in a 6-coordinate geometry to one N(2), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Nb(3)-N(2) bond length is 2.05 Å. The Nb(3)-O(5) bond length is 1.95 Å. The Nb(3)-O(6) bond length is 2.44 Å. The Nb(3)-O(7) bond length is 2.00 Å. The Nb(3)-O(8) bond length is 2.15 Å. The Nb(3)-O(9) bond length is 1.87 Å. In the fourth Nb site, Nb(4) is bonded to one N(1), one N(2), one O(10), one O(6), one O(7), and one O(8) atom to form distorted corner-sharing NbN2O4 octahedra. The corner-sharing octahedral tilt angles are 53°. The Nb(4)-N(1) bond length is 1.90 Å. The Nb(4)-N(2) bond length is 2.23 Å. The Nb(4)-O(10) bond length is 1.94 Å. The Nb(4)-O(6) bond length is 2.08 Å. The Nb(4)-O(7) bond length is 2.31 Å. The Nb(4)-O(8) bond length is 2.02 Å. In the fifth Nb site, Nb(5) is bonded in a distorted octahedral geometry to one O(11), one O(13), one O(14), one O(15), one O(16), and one O(17) atom. The Nb(5)-O(11) bond length is 1.90 Å. The Nb(5)-O(13) bond length is 2.01 Å. The Nb(5)-O(14) bond length is 2.22 Å. The Nb(5)-O(15) bond length is 2.05 Å. The Nb(5)-O(16) bond length is 2.26 Å. The Nb(5)-O(17) bond length is 1.88 Å. In the sixth Nb site, Nb(6) is bonded in a 6-coordinate geometry to one O(12), one O(13), one O(14), one O(15), one O(16), and one O(18) atom. The Nb(6)-O(12) bond length is 1.87 Å. The Nb(6)-O(13) bond length is 2.15 Å. The Nb(6)-O(14) bond length is 2.00 Å. The Nb(6)-O(15) bond length is 2.40 Å. The Nb(6)-O(16) bond length is 2.03 Å. The Nb(6)-O(18) bond length is 1.91 Å. In the seventh Nb site, Nb(7) is bonded in a 6-coordinate geometry to one N(3), one O(15), one O(17), one O(18), one O(19), and one O(20) atom. The Nb(7)-N(3) bond length is 1.89 Å. The Nb(7)-O(15) bond length is 2.03 Å. The Nb(7)-O(17) bond length is 2.22 Å. The Nb(7)-O(18) bond length is 2.45 Å. The Nb(7)-O(19) bond length is 2.09 Å. The Nb(7)-O(20) bond length is 1.87 Å. 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. The Nb(8)-N(3) bond length is 2.07 Å. The Nb(8)-N(4) bond length is 1.82 Å. The Nb(8)-O(16) bond length is 2.12 Å. The Nb(8)-O(17) bond length is 2.54 Å. The Nb(8)-O(18) bond length is 2.14 Å. The Nb(8)-O(19) bond length is 2.01 Å. 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 Nb(1), 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 Y(1), one Nb(7), and one Nb(8) atom. In the fourth N site, N(4) is bonded in a distorted trigonal non-coplanar 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 non-coplanar geometry to one Y(1), one Nb(1), and one Nb(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Y(1), 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 4-coordinate geometry to one Y(3), one Y(4), one Nb(3), and one Nb(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Y(4), one Nb(3), and one Nb(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar 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 3-coordinate geometry to one Y(3), one Y(4), and one Nb(5) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Y(3), one Y(4), and one Nb(6) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Y(3), one Y(4), one Nb(5), and one Nb(6) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate 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 3-coordinate geometry to one Nb(6), one Nb(7), and one Nb(8) atom. In the nineteenth O site, O(19) is bonded in a distorted 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.