YbV4O8 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. Yb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the third V site, V(3) is bonded to one O(1), one O(5), one O(7), one O(8), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are eight inequivalent O sites. In the first O site, O(4) is bonded to one Yb(1), one V(1), and two equivalent V(3) atoms to form a mixture of corner and edge-sharing OYbV3 trigonal pyramids. In the second O site, O(5) is bonded in a 4-coordinate geometry to one Yb(1), one V(1), one V(3), and one V(4) atom. In the third O site, O(6) is bonded to one Yb(1), one V(2), and two equivalent V(4) atoms to form a mixture of distorted corner and edge-sharing OYbV3 trigonal pyramids. In the fourth O site, O(7) is bonded to one Yb(1), one V(2), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OYbV3 trigonal pyramids. In the fifth O site, O(8) is bonded to one Yb(1), one V(3), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OYbV3 trigonal pyramids. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to one Yb(1), one V(1), one V(2), and one V(3) atom. In the seventh O site, O(2) is bonded to one Yb(1), one V(4), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OYbV3 trigonal pyramids. In the eighth O site, O(3) is bonded to one Yb(1), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing OYbV3 trigonal pyramids.
YbV4O8 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. Yb(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The Yb(1)-O(1) bond length is 2.47 Å. The Yb(1)-O(2) bond length is 2.30 Å. The Yb(1)-O(3) bond length is 2.42 Å. The Yb(1)-O(4) bond length is 2.31 Å. The Yb(1)-O(5) bond length is 2.51 Å. The Yb(1)-O(6) bond length is 2.32 Å. The Yb(1)-O(7) bond length is 2.43 Å. The Yb(1)-O(8) bond length is 2.31 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. The V(1)-O(1) bond length is 1.95 Å. The V(1)-O(3) bond length is 1.93 Å. The V(1)-O(4) bond length is 2.02 Å. The V(1)-O(5) bond length is 1.96 Å. There is one shorter (2.00 Å) and one longer (2.04 Å) V(1)-O(8) bond length. In the second V site, V(2) is bonded to one O(1), one O(3), one O(6), one O(7), and two equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. The V(2)-O(1) bond length is 1.93 Å. The V(2)-O(3) bond length is 1.99 Å. The V(2)-O(6) bond length is 1.96 Å. The V(2)-O(7) bond length is 1.99 Å. There is one shorter (1.93 Å) and one longer (2.03 Å) V(2)-O(2) bond length. In the third V site, V(3) is bonded to one O(1), one O(5), one O(7), one O(8), and two equivalent O(4) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The V(3)-O(1) bond length is 2.03 Å. The V(3)-O(5) bond length is 2.00 Å. The V(3)-O(7) bond length is 1.93 Å. The V(3)-O(8) bond length is 1.91 Å. There is one shorter (1.91 Å) and one longer (1.99 Å) V(3)-O(4) bond length. In the fourth V site, V(4) is bonded to one O(2), one O(3), one O(5), one O(7), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The V(4)-O(2) bond length is 1.96 Å. The V(4)-O(3) bond length is 1.93 Å. The V(4)-O(5) bond length is 1.96 Å. The V(4)-O(7) bond length is 1.94 Å. There is one shorter (1.98 Å) and one longer (2.02 Å) V(4)-O(6) bond length. There are eight inequivalent O sites. In the first O site, O(4) is bonded to one Yb(1), one V(1), and two equivalent V(3) atoms to form a mixture of corner and edge-sharing OYbV3 trigonal pyramids. In the second O site, O(5) is bonded in a 4-coordinate geometry to one Yb(1), one V(1), one V(3), and one V(4) atom. In the third O site, O(6) is bonded to one Yb(1), one V(2), and two equivalent V(4) atoms to form a mixture of distorted corner and edge-sharing OYbV3 trigonal pyramids. In the fourth O site, O(7) is bonded to one Yb(1), one V(2), one V(3), and one V(4) atom to form a mixture of distorted corner and edge-sharing OYbV3 trigonal pyramids. In the fifth O site, O(8) is bonded to one Yb(1), one V(3), and two equivalent V(1) atoms to form a mixture of corner and edge-sharing OYbV3 trigonal pyramids. In the sixth O site, O(1) is bonded in a 4-coordinate geometry to one Yb(1), one V(1), one V(2), and one V(3) atom. In the seventh O site, O(2) is bonded to one Yb(1), one V(4), and two equivalent V(2) atoms to form a mixture of corner and edge-sharing OYbV3 trigonal pyramids. In the eighth O site, O(3) is bonded to one Yb(1), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing OYbV3 trigonal pyramids.