LiYb4Ti2O10 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Yb(1)O6 pentagonal pyramid,  a cornercorner with one Ti(1)O5 trigonal bipyramid, and  a faceface with one Ti(2)O6 octahedra. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted YbO6 pentagonal pyramids that share corners with three equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-62°. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. In the fourth Yb site, Yb(4) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and edges with two equivalent Yb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 58°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with three equivalent Yb(1)O6 pentagonal pyramids,  a cornercorner with one Ti(1)O5 trigonal bipyramid, and  a faceface with one Li(1)O4 tetrahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1), one Yb(2), one Yb(3), and one Ti(2) atom to form distorted OYb3Ti trigonal pyramids that share  a cornercorner with one O(6)LiYb2Ti trigonal pyramid, corners with two equivalent O(2)Yb3Ti trigonal pyramids, and  an edgeedge with one O(7)Yb3Ti trigonal pyramid. In the second O site, O(2) is bonded to one Yb(1), one Yb(2), one Yb(4), and one Ti(1) atom to form distorted OYb3Ti trigonal pyramids that share  a cornercorner with one O(6)LiYb2Ti trigonal pyramid,  a cornercorner with one O(7)Yb3Ti trigonal pyramid, corners with two equivalent O(1)Yb3Ti trigonal pyramids,  an edgeedge with one O(6)LiYb2Ti trigonal pyramid, and  an edgeedge with one O(7)Yb3Ti trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(3), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Yb(1), one Yb(3), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Yb(2), one Yb(4), and one Ti(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Yb(2), one Yb(4), and one Ti(1) atom to form a mixture of distorted corner and edge-sharing OLiYb2Ti trigonal pyramids. In the seventh O site, O(7) is bonded to one Yb(1), one Yb(3), one Yb(4), and one Ti(1) atom to form distorted OYb3Ti trigonal pyramids that share  a cornercorner with one O(2)Yb3Ti trigonal pyramid, corners with two equivalent O(6)LiYb2Ti trigonal pyramids,  an edgeedge with one O(1)Yb3Ti trigonal pyramid, and  an edgeedge with one O(2)Yb3Ti trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Yb(1), one Yb(3), one Ti(1), and one Ti(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Yb(2), one Yb(3), one Yb(4), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Yb(2), one Yb(4), and one Ti(2) atom.
LiYb4Ti2O10 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Yb(1)O6 pentagonal pyramid,  a cornercorner with one Ti(1)O5 trigonal bipyramid, and  a faceface with one Ti(2)O6 octahedra. The Li(1)-O(10) bond length is 1.91 Å. The Li(1)-O(4) bond length is 1.97 Å. The Li(1)-O(6) bond length is 1.90 Å. The Li(1)-O(9) bond length is 1.91 Å. There are four inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted YbO6 pentagonal pyramids that share corners with three equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-62°. The Yb(1)-O(1) bond length is 2.29 Å. The Yb(1)-O(2) bond length is 2.30 Å. The Yb(1)-O(3) bond length is 2.34 Å. The Yb(1)-O(4) bond length is 2.32 Å. The Yb(1)-O(7) bond length is 2.32 Å. The Yb(1)-O(8) bond length is 2.43 Å. In the second Yb site, Yb(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(5), one O(6), and one O(9) atom. The Yb(2)-O(1) bond length is 2.39 Å. The Yb(2)-O(10) bond length is 2.34 Å. The Yb(2)-O(2) bond length is 2.37 Å. The Yb(2)-O(5) bond length is 2.22 Å. The Yb(2)-O(6) bond length is 2.24 Å. The Yb(2)-O(9) bond length is 2.47 Å. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(7), one O(8), and one O(9) atom. The Yb(3)-O(1) bond length is 2.46 Å. The Yb(3)-O(3) bond length is 2.30 Å. The Yb(3)-O(4) bond length is 2.41 Å. The Yb(3)-O(7) bond length is 2.30 Å. The Yb(3)-O(8) bond length is 2.41 Å. The Yb(3)-O(9) bond length is 2.29 Å. In the fourth Yb site, Yb(4) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. The Yb(4)-O(10) bond length is 2.33 Å. The Yb(4)-O(2) bond length is 2.47 Å. The Yb(4)-O(5) bond length is 2.21 Å. The Yb(4)-O(6) bond length is 2.22 Å. The Yb(4)-O(7) bond length is 2.29 Å. The Yb(4)-O(9) bond length is 2.53 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and edges with two equivalent Yb(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 58°. The Ti(1)-O(2) bond length is 2.03 Å. The Ti(1)-O(3) bond length is 1.95 Å. The Ti(1)-O(6) bond length is 1.87 Å. The Ti(1)-O(7) bond length is 1.87 Å. The Ti(1)-O(8) bond length is 1.88 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(4), one O(5), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with three equivalent Yb(1)O6 pentagonal pyramids,  a cornercorner with one Ti(1)O5 trigonal bipyramid, and  a faceface with one Li(1)O4 tetrahedra. The Ti(2)-O(1) bond length is 1.83 Å. The Ti(2)-O(10) bond length is 2.06 Å. The Ti(2)-O(4) bond length is 2.09 Å. The Ti(2)-O(5) bond length is 1.81 Å. The Ti(2)-O(8) bond length is 2.02 Å. The Ti(2)-O(9) bond length is 2.21 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Yb(1), one Yb(2), one Yb(3), and one Ti(2) atom to form distorted OYb3Ti trigonal pyramids that share  a cornercorner with one O(6)LiYb2Ti trigonal pyramid, corners with two equivalent O(2)Yb3Ti trigonal pyramids, and  an edgeedge with one O(7)Yb3Ti trigonal pyramid. In the second O site, O(2) is bonded to one Yb(1), one Yb(2), one Yb(4), and one Ti(1) atom to form distorted OYb3Ti trigonal pyramids that share  a cornercorner with one O(6)LiYb2Ti trigonal pyramid,  a cornercorner with one O(7)Yb3Ti trigonal pyramid, corners with two equivalent O(1)Yb3Ti trigonal pyramids,  an edgeedge with one O(6)LiYb2Ti trigonal pyramid, and  an edgeedge with one O(7)Yb3Ti trigonal pyramid. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(3), and one Ti(1) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one Yb(1), one Yb(3), and one Ti(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Yb(2), one Yb(4), and one Ti(2) atom. In the sixth O site, O(6) is bonded to one Li(1), one Yb(2), one Yb(4), and one Ti(1) atom to form a mixture of distorted corner and edge-sharing OLiYb2Ti trigonal pyramids. In the seventh O site, O(7) is bonded to one Yb(1), one Yb(3), one Yb(4), and one Ti(1) atom to form distorted OYb3Ti trigonal pyramids that share  a cornercorner with one O(2)Yb3Ti trigonal pyramid, corners with two equivalent O(6)LiYb2Ti trigonal pyramids,  an edgeedge with one O(1)Yb3Ti trigonal pyramid, and  an edgeedge with one O(2)Yb3Ti trigonal pyramid. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Yb(1), one Yb(3), one Ti(1), and one Ti(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Yb(2), one Yb(3), one Yb(4), and one Ti(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(1), one Yb(2), one Yb(4), and one Ti(2) atom.