SrCaYBiO6 crystallizes in the tetragonal P-4n2 space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ca(1), one Y(1), and one Bi(1) atom to form distorted OSr2Ca2YBi octahedra that share corners with six equivalent O(1)Sr2Ca2YBi octahedra, corners with eight equivalent O(2)SrCaYBi tetrahedra, edges with four equivalent O(1)Sr2Ca2YBi octahedra, and edges with eight equivalent O(2)SrCaYBi tetrahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Sr(1), one Ca(1), one Y(1), and one Bi(1) atom to form distorted OSrCaYBi tetrahedra that share corners with four equivalent O(1)Sr2Ca2YBi octahedra, corners with ten equivalent O(2)SrCaYBi tetrahedra, edges with four equivalent O(1)Sr2Ca2YBi octahedra, and  an edgeedge with one O(2)SrCaYBi tetrahedra. The corner-sharing octahedral tilt angles range from 66-68°.
SrCaYBiO6 crystallizes in the tetragonal P-4n2 space group. Sr(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Sr(1)-O(1) bond lengths are 2.96 Å. All Sr(1)-O(2) bond lengths are 2.67 Å. Ca(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Ca(1)-O(1) bond lengths are 2.96 Å. All Ca(1)-O(2) bond lengths are 2.52 Å. Y(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. Both Y(1)-O(1) bond lengths are 2.19 Å. All Y(1)-O(2) bond lengths are 2.26 Å. Bi(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form BiO6 octahedra that share corners with six equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-35°. Both Bi(1)-O(1) bond lengths are 2.11 Å. All Bi(1)-O(2) bond lengths are 2.13 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Ca(1), one Y(1), and one Bi(1) atom to form distorted OSr2Ca2YBi octahedra that share corners with six equivalent O(1)Sr2Ca2YBi octahedra, corners with eight equivalent O(2)SrCaYBi tetrahedra, edges with four equivalent O(1)Sr2Ca2YBi octahedra, and edges with eight equivalent O(2)SrCaYBi tetrahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to one Sr(1), one Ca(1), one Y(1), and one Bi(1) atom to form distorted OSrCaYBi tetrahedra that share corners with four equivalent O(1)Sr2Ca2YBi octahedra, corners with ten equivalent O(2)SrCaYBi tetrahedra, edges with four equivalent O(1)Sr2Ca2YBi octahedra, and  an edgeedge with one O(2)SrCaYBi tetrahedra. The corner-sharing octahedral tilt angles range from 66-68°.