YV3O9 crystallizes in the monoclinic Pc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(5), one O(6), one O(7), and one O(9) atom. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(16), one O(18), and one O(3) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(18), one O(3), one O(4), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(2), one O(4), and one O(5) atom. In the third V site, V(3) is bonded to one O(15), one O(17), one O(2), one O(3), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(7), and one O(8) atom. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(8), and one O(9) atom. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(17), one O(7), and one O(9) atom. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Y(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(2), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Y(1), one V(1), and one V(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Y(1), one V(4), and one V(6) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Y(1), one V(5), and one V(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Y(2), one V(4), and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one V(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one V(5) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one V(1) and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Y(1) and one V(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Y(1) and one V(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Y(2), one V(2), and one V(5) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one V(3) and one V(6) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Y(2) and one V(1) atom.
YV3O9 crystallizes in the monoclinic Pc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one O(14), one O(15), one O(5), one O(6), one O(7), and one O(9) atom. The Y(1)-O(14) bond length is 2.50 Å. The Y(1)-O(15) bond length is 2.30 Å. The Y(1)-O(5) bond length is 2.35 Å. The Y(1)-O(6) bond length is 2.26 Å. The Y(1)-O(7) bond length is 2.31 Å. The Y(1)-O(9) bond length is 2.31 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(16), one O(18), and one O(3) atom. The Y(2)-O(1) bond length is 2.45 Å. The Y(2)-O(10) bond length is 2.25 Å. The Y(2)-O(11) bond length is 2.30 Å. The Y(2)-O(16) bond length is 2.52 Å. The Y(2)-O(18) bond length is 2.29 Å. The Y(2)-O(3) bond length is 2.27 Å. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(13), one O(18), one O(3), one O(4), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. The V(1)-O(1) bond length is 1.92 Å. The V(1)-O(13) bond length is 2.29 Å. The V(1)-O(18) bond length is 1.74 Å. The V(1)-O(3) bond length is 2.15 Å. The V(1)-O(4) bond length is 1.74 Å. The V(1)-O(6) bond length is 1.80 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(16), one O(2), one O(4), and one O(5) atom. The V(2)-O(1) bond length is 1.81 Å. The V(2)-O(16) bond length is 1.68 Å. The V(2)-O(2) bond length is 1.93 Å. The V(2)-O(4) bond length is 1.95 Å. The V(2)-O(5) bond length is 1.82 Å. In the third V site, V(3) is bonded to one O(15), one O(17), one O(2), one O(3), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 35°. The V(3)-O(15) bond length is 1.74 Å. The V(3)-O(17) bond length is 2.26 Å. The V(3)-O(2) bond length is 1.76 Å. The V(3)-O(3) bond length is 1.79 Å. The V(3)-O(5) bond length is 1.94 Å. The V(3)-O(6) bond length is 2.15 Å. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(13), one O(7), and one O(8) atom. The V(4)-O(10) bond length is 2.06 Å. The V(4)-O(11) bond length is 1.94 Å. The V(4)-O(13) bond length is 1.67 Å. The V(4)-O(7) bond length is 1.78 Å. The V(4)-O(8) bond length is 1.85 Å. In the fifth V site, V(5) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(16), one O(8), and one O(9) atom. The V(5)-O(11) bond length is 1.86 Å. The V(5)-O(12) bond length is 2.08 Å. The V(5)-O(14) bond length is 1.67 Å. The V(5)-O(16) bond length is 2.49 Å. The V(5)-O(8) bond length is 1.83 Å. The V(5)-O(9) bond length is 1.85 Å. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(17), one O(7), and one O(9) atom. The V(6)-O(10) bond length is 1.84 Å. The V(6)-O(12) bond length is 1.72 Å. The V(6)-O(17) bond length is 1.70 Å. The V(6)-O(7) bond length is 2.20 Å. The V(6)-O(9) bond length is 1.91 Å. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Y(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one V(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(2), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(1), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Y(1), one V(1), and one V(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Y(1), one V(4), and one V(6) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(4) and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Y(1), one V(5), and one V(6) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Y(2), one V(4), and one V(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one V(4), and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one V(5) and one V(6) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one V(1) and one V(4) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Y(1) and one V(5) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one Y(1) and one V(3) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Y(2), one V(2), and one V(5) atom. In the seventeenth O site, O(17) is bonded in a 1-coordinate geometry to one V(3) and one V(6) atom. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Y(2) and one V(1) atom.