Li4Y3CrO8 crystallizes in the orthorhombic C222 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the second Y site, Y(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Y(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(3), one Y(1), and two equivalent Y(2) atoms to form OLi2Y3 square pyramids that share corners with four equivalent O(3)Li3Y2Cr octahedra,  a cornercorner with one O(1)Li2Y3 square pyramid, corners with four equivalent O(2)Li2Y2Cr square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 83-84°. In the second O site, O(2) is bonded to two equivalent Li(3), two equivalent Y(2), and one Cr(1) atom to form OLi2Y2Cr square pyramids that share corners with four equivalent O(3)Li3Y2Cr octahedra,  a cornercorner with one O(2)Li2Y2Cr square pyramid, corners with four equivalent O(1)Li2Y3 square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 78-80°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Y(1), one Y(2), and one Cr(1) atom to form distorted OLi3Y2Cr octahedra that share corners with six equivalent O(3)Li3Y2Cr octahedra, corners with two equivalent O(2)Li2Y2Cr square pyramids, corners with two equivalent O(1)Li2Y3 square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 2-8°.
Li4Y3CrO8 crystallizes in the orthorhombic C222 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to four equivalent O(3) atoms. All Li(1)-O(3) bond lengths are 2.22 Å. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent O(3) atoms. All Li(2)-O(3) bond lengths are 2.17 Å. In the third Li site, Li(3) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Li(3)-O(1) bond lengths are 2.19 Å. Both Li(3)-O(2) bond lengths are 2.24 Å. Both Li(3)-O(3) bond lengths are 2.65 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. Both Y(1)-O(1) bond lengths are 2.25 Å. All Y(1)-O(3) bond lengths are 2.28 Å. In the second Y site, Y(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Y(2)O6 octahedra, edges with two equivalent Y(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. Both Y(2)-O(1) bond lengths are 2.23 Å. Both Y(2)-O(2) bond lengths are 2.19 Å. Both Y(2)-O(3) bond lengths are 2.36 Å. Cr(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CrO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. Both Cr(1)-O(2) bond lengths are 2.07 Å. All Cr(1)-O(3) bond lengths are 2.10 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(3), one Y(1), and two equivalent Y(2) atoms to form OLi2Y3 square pyramids that share corners with four equivalent O(3)Li3Y2Cr octahedra,  a cornercorner with one O(1)Li2Y3 square pyramid, corners with four equivalent O(2)Li2Y2Cr square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 83-84°. In the second O site, O(2) is bonded to two equivalent Li(3), two equivalent Y(2), and one Cr(1) atom to form OLi2Y2Cr square pyramids that share corners with four equivalent O(3)Li3Y2Cr octahedra,  a cornercorner with one O(2)Li2Y2Cr square pyramid, corners with four equivalent O(1)Li2Y3 square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 78-80°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Y(1), one Y(2), and one Cr(1) atom to form distorted OLi3Y2Cr octahedra that share corners with six equivalent O(3)Li3Y2Cr octahedra, corners with two equivalent O(2)Li2Y2Cr square pyramids, corners with two equivalent O(1)Li2Y3 square pyramids, edges with four equivalent O(3)Li3Y2Cr octahedra, edges with two equivalent O(2)Li2Y2Cr square pyramids, and edges with two equivalent O(1)Li2Y3 square pyramids. The corner-sharing octahedral tilt angles range from 2-8°.