SrCaSmBiO6 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 4-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SmO6 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 32-40°. In the second Sm site, Sm(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SmO6 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 35-38°. 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 Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. 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 Sm(1)O6 octahedra and corners with four equivalent Sm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. 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 Sm(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 Sm(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 Sm(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Sm(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Sm(1), and one Bi(2) atom to form distorted corner-sharing OSrCaSmBi tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sr(1), one Ca(1), one Sm(2), and one Bi(1) atom.
SrCaSmBiO6 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 2.82 Å. The Sr(1)-O(4) bond length is 2.79 Å. The Sr(1)-O(5) bond length is 2.63 Å. The Sr(1)-O(6) bond length is 2.52 Å. There is one shorter (2.50 Å) and one longer (3.01 Å) Sr(1)-O(2) bond length. There is one shorter (2.52 Å) and one longer (3.00 Å) Sr(1)-O(3) bond length. Ca(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. The Ca(1)-O(2) bond length is 2.84 Å. The Ca(1)-O(3) bond length is 2.83 Å. The Ca(1)-O(4) bond length is 2.42 Å. The Ca(1)-O(5) bond length is 2.36 Å. The Ca(1)-O(6) bond length is 2.47 Å. There is one shorter (2.40 Å) and one longer (3.05 Å) Ca(1)-O(1) bond length. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form SmO6 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 32-40°. Both Sm(1)-O(1) bond lengths are 2.33 Å. Both Sm(1)-O(3) bond lengths are 2.29 Å. Both Sm(1)-O(5) bond lengths are 2.35 Å. In the second Sm site, Sm(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form SmO6 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 35-38°. Both Sm(2)-O(2) bond lengths are 2.31 Å. Both Sm(2)-O(4) bond lengths are 2.33 Å. Both Sm(2)-O(6) bond lengths are 2.33 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 Sm(2)O6 octahedra and corners with four equivalent Sm(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. 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 2.16 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 Sm(1)O6 octahedra and corners with four equivalent Sm(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. 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 2.17 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 Sm(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 Sm(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 Sm(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Sm(2), and one Bi(2) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Ca(1), one Sm(1), and one Bi(2) atom to form distorted corner-sharing OSrCaSmBi tetrahedra. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Sr(1), one Ca(1), one Sm(2), and one Bi(1) atom.