CaY4Sb3O14 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted CaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Y site, Y(2) is bonded to two equivalent O(3) and six equivalent O(2) atoms to form YO8 hexagonal bipyramids that share edges with six equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Y(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-63°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Y(2) and three equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(3)Y4 tetrahedra, corners with six equivalent O(1)CaY2Sb tetrahedra, and edges with three equivalent O(1)CaY2Sb tetrahedra. In the second O site, O(1) is bonded to one Ca(1), two equivalent Y(1), and one Sb(1) atom to form OCaY2Sb tetrahedra that share corners with two equivalent O(3)Y4 tetrahedra, corners with eight equivalent O(1)CaY2Sb tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, and edges with two equivalent O(1)CaY2Sb tetrahedra. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Sb(1) atoms.
CaY4Sb3O14 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent O(1) atoms to form distorted CaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Ca(1)-O(1) bond lengths are 2.35 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Both Y(1)-O(2) bond lengths are 2.80 Å. Both Y(1)-O(3) bond lengths are 2.33 Å. All Y(1)-O(1) bond lengths are 2.42 Å. In the second Y site, Y(2) is bonded to two equivalent O(3) and six equivalent O(2) atoms to form YO8 hexagonal bipyramids that share edges with six equivalent Sb(1)O6 octahedra. Both Y(2)-O(3) bond lengths are 2.20 Å. All Y(2)-O(2) bond lengths are 2.54 Å. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and edges with two equivalent Y(2)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-63°. Both Sb(1)-O(1) bond lengths are 2.03 Å. All Sb(1)-O(2) bond lengths are 2.04 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Y(2) and three equivalent Y(1) atoms to form OY4 tetrahedra that share corners with four equivalent O(3)Y4 tetrahedra, corners with six equivalent O(1)CaY2Sb tetrahedra, and edges with three equivalent O(1)CaY2Sb tetrahedra. In the second O site, O(1) is bonded to one Ca(1), two equivalent Y(1), and one Sb(1) atom to form OCaY2Sb tetrahedra that share corners with two equivalent O(3)Y4 tetrahedra, corners with eight equivalent O(1)CaY2Sb tetrahedra,  an edgeedge with one O(3)Y4 tetrahedra, and edges with two equivalent O(1)CaY2Sb tetrahedra. In the third O site, O(2) is bonded in a 4-coordinate geometry to one Y(1), one Y(2), and two equivalent Sb(1) atoms.