LiY2(FeO2)4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one Fe(1), one O(2), one O(6), one O(7), and one O(8) atom to form distorted LiFeO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  a cornercorner with one O(1)YFe3 tetrahedra,  a cornercorner with one O(4)YFe3 tetrahedra,  a cornercorner with one O(5)YFe3 tetrahedra, corners with two equivalent Y(2)O4 tetrahedra, and  an edgeedge with one Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form YO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(1)FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Y site, Y(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form YO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, and corners with two equivalent Li(1)FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-64°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(2), one O(4), one O(5), and one O(6) atom. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)FeO4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra, corners with three equivalent Y(2)O4 tetrahedra, and edges with two equivalent Fe(4)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)FeO4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra, corners with three equivalent Y(2)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Fe(1), one Fe(2), and one Fe(4) atom to form OYFe3 tetrahedra that share  a cornercorner with one Li(1)FeO4 tetrahedra,  a cornercorner with one O(5)YFe3 tetrahedra, corners with two equivalent O(4)YFe3 tetrahedra, and  an edgeedge with one O(5)YFe3 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Y(2), one Fe(2), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Y(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OYFe3 tetrahedra that share  a cornercorner with one Li(1)FeO4 tetrahedra, corners with two equivalent O(1)YFe3 tetrahedra, and corners with two equivalent O(5)YFe3 tetrahedra. In the fifth O site, O(5) is bonded to one Y(1), one Fe(1), one Fe(2), and one Fe(3) atom to form OYFe3 tetrahedra that share  a cornercorner with one Li(1)FeO4 tetrahedra,  a cornercorner with one O(1)YFe3 tetrahedra, corners with two equivalent O(4)YFe3 tetrahedra, and  an edgeedge with one O(1)YFe3 tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Fe(1), one Fe(2), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Y(1), one Fe(3), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Y(1), one Fe(3), and one Fe(4) atom.
LiY2(FeO2)4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one Fe(1), one O(2), one O(6), one O(7), and one O(8) atom to form distorted LiFeO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra,  a cornercorner with one O(1)YFe3 tetrahedra,  a cornercorner with one O(4)YFe3 tetrahedra,  a cornercorner with one O(5)YFe3 tetrahedra, corners with two equivalent Y(2)O4 tetrahedra, and  an edgeedge with one Y(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 37-60°. The Li(1)-Fe(1) bond length is 2.33 Å. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(6) bond length is 1.97 Å. The Li(1)-O(7) bond length is 1.91 Å. The Li(1)-O(8) bond length is 1.90 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form YO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, and  an edgeedge with one Li(1)FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-62°. The Y(1)-O(1) bond length is 2.15 Å. The Y(1)-O(5) bond length is 2.15 Å. The Y(1)-O(7) bond length is 2.14 Å. The Y(1)-O(8) bond length is 2.16 Å. In the second Y site, Y(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form YO4 tetrahedra that share corners with three equivalent Fe(3)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, and corners with two equivalent Li(1)FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-64°. The Y(2)-O(2) bond length is 2.20 Å. The Y(2)-O(3) bond length is 2.16 Å. The Y(2)-O(4) bond length is 2.15 Å. The Y(2)-O(6) bond length is 2.19 Å. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(2), one O(4), one O(5), and one O(6) atom. The Fe(1)-O(1) bond length is 2.08 Å. The Fe(1)-O(2) bond length is 2.20 Å. The Fe(1)-O(4) bond length is 2.07 Å. The Fe(1)-O(5) bond length is 2.08 Å. The Fe(1)-O(6) bond length is 2.22 Å. In the second Fe site, Fe(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. The Fe(2)-O(1) bond length is 2.01 Å. The Fe(2)-O(2) bond length is 2.08 Å. The Fe(2)-O(3) bond length is 1.96 Å. The Fe(2)-O(5) bond length is 2.01 Å. The Fe(2)-O(6) bond length is 2.08 Å. In the third Fe site, Fe(3) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)FeO4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra, corners with three equivalent Y(2)O4 tetrahedra, and edges with two equivalent Fe(4)O6 octahedra. The Fe(3)-O(2) bond length is 2.46 Å. The Fe(3)-O(3) bond length is 2.28 Å. The Fe(3)-O(4) bond length is 2.09 Å. The Fe(3)-O(5) bond length is 2.27 Å. The Fe(3)-O(7) bond length is 2.22 Å. The Fe(3)-O(8) bond length is 2.07 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with three equivalent Li(1)FeO4 tetrahedra, corners with three equivalent Y(1)O4 tetrahedra, corners with three equivalent Y(2)O4 tetrahedra, and edges with two equivalent Fe(3)O6 octahedra. The Fe(4)-O(1) bond length is 2.28 Å. The Fe(4)-O(3) bond length is 2.28 Å. The Fe(4)-O(4) bond length is 2.09 Å. The Fe(4)-O(6) bond length is 2.45 Å. The Fe(4)-O(7) bond length is 2.22 Å. The Fe(4)-O(8) bond length is 2.07 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Y(1), one Fe(1), one Fe(2), and one Fe(4) atom to form OYFe3 tetrahedra that share  a cornercorner with one Li(1)FeO4 tetrahedra,  a cornercorner with one O(5)YFe3 tetrahedra, corners with two equivalent O(4)YFe3 tetrahedra, and  an edgeedge with one O(5)YFe3 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Fe(1), one Fe(2), and one Fe(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Y(2), one Fe(2), one Fe(3), and one Fe(4) atom. In the fourth O site, O(4) is bonded to one Y(2), one Fe(1), one Fe(3), and one Fe(4) atom to form OYFe3 tetrahedra that share  a cornercorner with one Li(1)FeO4 tetrahedra, corners with two equivalent O(1)YFe3 tetrahedra, and corners with two equivalent O(5)YFe3 tetrahedra. In the fifth O site, O(5) is bonded to one Y(1), one Fe(1), one Fe(2), and one Fe(3) atom to form OYFe3 tetrahedra that share  a cornercorner with one Li(1)FeO4 tetrahedra,  a cornercorner with one O(1)YFe3 tetrahedra, corners with two equivalent O(4)YFe3 tetrahedra, and  an edgeedge with one O(1)YFe3 tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Fe(1), one Fe(2), and one Fe(4) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Y(1), one Fe(3), and one Fe(4) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Y(1), one Fe(3), and one Fe(4) atom.