LiEr4Zr4O14 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms to form distorted corner-sharing LiO6 tetrahedra. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), two equivalent O(2), and two equivalent O(9) atoms. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the third Er site, Er(3) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to one O(3), one O(4), one O(7), one O(8), two equivalent O(5), and two equivalent O(6) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Er(1), and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Er(2), two equivalent Er(1), and one Zr(2) atom. In the third O site, O(3) is bonded to two equivalent Er(2) and two equivalent Zr(3) atoms to form OEr2Zr2 tetrahedra that share corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(8)Er2Zr2 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(5)ErZr3 tetrahedra, and edges with four equivalent O(6)ErZr3 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Zr(2) and two equivalent Zr(3) atoms to form OZr4 tetrahedra that share corners with two equivalent O(10)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(5)ErZr3 tetrahedra,  an edgeedge with one O(10)Er2Zr2 tetrahedra,  an edgeedge with one O(8)Er2Zr2 tetrahedra, and edges with four equivalent O(6)ErZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Er(3), one Zr(1), and two equivalent Zr(3) atoms to form distorted OErZr3 tetrahedra that share corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(5)ErZr3 tetrahedra,  an edgeedge with one O(6)ErZr3 tetrahedra, and edges with two equivalent O(8)Er2Zr2 tetrahedra. In the sixth O site, O(6) is bonded to one Er(2), one Zr(2), and two equivalent Zr(3) atoms to form OErZr3 tetrahedra that share corners with two equivalent O(10)Er2Zr2 tetrahedra, corners with two equivalent O(8)Er2Zr2 tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with four equivalent O(6)ErZr3 tetrahedra,  an edgeedge with one O(5)ErZr3 tetrahedra, edges with two equivalent O(3)Er2Zr2 tetrahedra, and edges with two equivalent O(4)Zr4 tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Zr(1) and two equivalent Zr(3) atoms. In the eighth O site, O(8) is bonded to two equivalent Er(3) and two equivalent Zr(3) atoms to form OEr2Zr2 tetrahedra that share corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(8)Er2Zr2 tetrahedra, corners with four equivalent O(6)ErZr3 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and edges with four equivalent O(5)ErZr3 tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Er(3), two equivalent Er(1), and one Zr(1) atom. In the tenth O site, O(10) is bonded to two equivalent Er(1) and two equivalent Zr(2) atoms to form OEr2Zr2 tetrahedra that share corners with two equivalent O(10)Er2Zr2 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(6)ErZr3 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra.
LiEr4Zr4O14 crystallizes in the orthorhombic Pmm2 space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms to form distorted corner-sharing LiO6 tetrahedra. Both Li(1)-O(1) bond lengths are 2.01 Å. Both Li(1)-O(2) bond lengths are 1.88 Å. Both Li(1)-O(9) bond lengths are 2.52 Å. There are three inequivalent Er sites. In the first Er site, Er(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), two equivalent O(2), and two equivalent O(9) atoms. The Er(1)-O(1) bond length is 2.18 Å. The Er(1)-O(10) bond length is 2.34 Å. Both Er(1)-O(2) bond lengths are 2.28 Å. Both Er(1)-O(9) bond lengths are 2.37 Å. In the second Er site, Er(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. Both Er(2)-O(2) bond lengths are 2.29 Å. Both Er(2)-O(3) bond lengths are 2.22 Å. Both Er(2)-O(6) bond lengths are 2.22 Å. In the third Er site, Er(3) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(8), and two equivalent O(9) atoms. Both Er(3)-O(5) bond lengths are 2.47 Å. Both Er(3)-O(8) bond lengths are 2.16 Å. Both Er(3)-O(9) bond lengths are 2.24 Å. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms. Both Zr(1)-O(1) bond lengths are 2.59 Å. Both Zr(1)-O(5) bond lengths are 2.40 Å. Both Zr(1)-O(7) bond lengths are 2.06 Å. Both Zr(1)-O(9) bond lengths are 2.20 Å. In the second Zr site, Zr(2) is bonded in a distorted body-centered cubic geometry to two equivalent O(10), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. Both Zr(2)-O(10) bond lengths are 2.20 Å. Both Zr(2)-O(2) bond lengths are 2.77 Å. Both Zr(2)-O(4) bond lengths are 2.29 Å. Both Zr(2)-O(6) bond lengths are 2.06 Å. In the third Zr site, Zr(3) is bonded in a distorted body-centered cubic geometry to one O(3), one O(4), one O(7), one O(8), two equivalent O(5), and two equivalent O(6) atoms. The Zr(3)-O(3) bond length is 2.26 Å. The Zr(3)-O(4) bond length is 2.15 Å. The Zr(3)-O(7) bond length is 2.61 Å. The Zr(3)-O(8) bond length is 2.25 Å. Both Zr(3)-O(5) bond lengths are 2.11 Å. Both Zr(3)-O(6) bond lengths are 2.34 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to two equivalent Li(1), two equivalent Er(1), and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Er(2), two equivalent Er(1), and one Zr(2) atom. In the third O site, O(3) is bonded to two equivalent Er(2) and two equivalent Zr(3) atoms to form OEr2Zr2 tetrahedra that share corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(8)Er2Zr2 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(5)ErZr3 tetrahedra, and edges with four equivalent O(6)ErZr3 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Zr(2) and two equivalent Zr(3) atoms to form OZr4 tetrahedra that share corners with two equivalent O(10)Er2Zr2 tetrahedra, corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(5)ErZr3 tetrahedra,  an edgeedge with one O(10)Er2Zr2 tetrahedra,  an edgeedge with one O(8)Er2Zr2 tetrahedra, and edges with four equivalent O(6)ErZr3 tetrahedra. In the fifth O site, O(5) is bonded to one Er(3), one Zr(1), and two equivalent Zr(3) atoms to form distorted OErZr3 tetrahedra that share corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(6)ErZr3 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(5)ErZr3 tetrahedra,  an edgeedge with one O(6)ErZr3 tetrahedra, and edges with two equivalent O(8)Er2Zr2 tetrahedra. In the sixth O site, O(6) is bonded to one Er(2), one Zr(2), and two equivalent Zr(3) atoms to form OErZr3 tetrahedra that share corners with two equivalent O(10)Er2Zr2 tetrahedra, corners with two equivalent O(8)Er2Zr2 tetrahedra, corners with two equivalent O(5)ErZr3 tetrahedra, corners with four equivalent O(6)ErZr3 tetrahedra,  an edgeedge with one O(5)ErZr3 tetrahedra, edges with two equivalent O(3)Er2Zr2 tetrahedra, and edges with two equivalent O(4)Zr4 tetrahedra. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to two equivalent Zr(1) and two equivalent Zr(3) atoms. In the eighth O site, O(8) is bonded to two equivalent Er(3) and two equivalent Zr(3) atoms to form OEr2Zr2 tetrahedra that share corners with two equivalent O(3)Er2Zr2 tetrahedra, corners with two equivalent O(8)Er2Zr2 tetrahedra, corners with four equivalent O(6)ErZr3 tetrahedra,  an edgeedge with one O(4)Zr4 tetrahedra, and edges with four equivalent O(5)ErZr3 tetrahedra. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Er(3), two equivalent Er(1), and one Zr(1) atom. In the tenth O site, O(10) is bonded to two equivalent Er(1) and two equivalent Zr(2) atoms to form OEr2Zr2 tetrahedra that share corners with two equivalent O(10)Er2Zr2 tetrahedra, corners with two equivalent O(4)Zr4 tetrahedra, corners with four equivalent O(6)ErZr3 tetrahedra, and  an edgeedge with one O(4)Zr4 tetrahedra.