SrCaYBiO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form YO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the second Y site, Y(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form YO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent Y(2)O6 octahedra and corners with four equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with two equivalent Y(1)O6 octahedra and corners with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Y(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Y(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Y(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(1), one Y(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Y(1), and one Bi(2) atom to form distorted corner-sharing OSrCaYBi tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Y(2), and one Bi(1) atom to form distorted corner-sharing OSrCaYBi tetrahedra.
SrCaYBiO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Sr(1)-O(1) bond length is 2.80 Å. The Sr(1)-O(4) bond length is 2.78 Å. The Sr(1)-O(5) bond length is 2.63 Å. The Sr(1)-O(6) bond length is 2.51 Å. There is one shorter (2.50 Å) and one longer (2.97 Å) Sr(1)-O(2) bond length. There is one shorter (2.52 Å) and one longer (2.97 Å) Sr(1)-O(3) bond length. Ca(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), one O(5), one O(6), two equivalent O(1), and two equivalent O(4) atoms. The Ca(1)-O(2) bond length is 2.81 Å. The Ca(1)-O(3) bond length is 2.81 Å. The Ca(1)-O(5) bond length is 2.37 Å. The Ca(1)-O(6) bond length is 2.46 Å. There is one shorter (2.41 Å) and one longer (3.02 Å) Ca(1)-O(1) bond length. There is one shorter (2.42 Å) and one longer (3.07 Å) Ca(1)-O(4) bond length. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form YO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. Both Y(1)-O(1) bond lengths are 2.28 Å. Both Y(1)-O(3) bond lengths are 2.24 Å. Both Y(1)-O(5) bond lengths are 2.29 Å. In the second Y site, Y(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form YO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra and corners with four equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-36°. Both Y(2)-O(2) bond lengths are 2.26 Å. Both Y(2)-O(4) bond lengths are 2.28 Å. Both Y(2)-O(6) bond lengths are 2.27 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form BiO6 octahedra that share corners with two equivalent Y(2)O6 octahedra and corners with four equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. Both Bi(1)-O(1) bond lengths are 2.16 Å. Both Bi(1)-O(3) bond lengths are 2.13 Å. Both Bi(1)-O(6) bond lengths are 2.15 Å. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form BiO6 octahedra that share corners with two equivalent Y(1)O6 octahedra and corners with four equivalent Y(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. Both Bi(2)-O(2) bond lengths are 2.14 Å. Both Bi(2)-O(4) bond lengths are 2.15 Å. Both Bi(2)-O(5) bond lengths are 2.16 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Ca(1), one Y(1), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Y(2), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Ca(1), one Y(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Ca(1), one Y(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Y(1), and one Bi(2) atom to form distorted corner-sharing OSrCaYBi tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Ca(1), one Y(2), and one Bi(1) atom to form distorted corner-sharing OSrCaYBi tetrahedra.