CaSrLaSbO6 crystallizes in the orthorhombic P222 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted square co-planar geometry to four equivalent O(5) atoms. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) and four equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a distorted square co-planar geometry to four equivalent O(4) atoms. In the fourth Sr site, Sr(4) is bonded in a distorted square co-planar geometry to four equivalent O(2) and four equivalent O(4) atoms. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. In the second Ca site, Ca(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the third Ca site, Ca(3) is bonded in a distorted q6 geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the fourth Ca site, Ca(4) is bonded in a distorted q6 geometry to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms. La(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one Ca(4), one La(1), and one Sb(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Sr(2), one Ca(4), one La(1), and one Sb(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), one La(1), and one Sb(1) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one Ca(3), one La(1), and one Sb(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(3), one La(1), and one Sb(1) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(3), one Sr(4), one Ca(4), one La(1), and one Sb(1) atom.
CaSrLaSbO6 crystallizes in the orthorhombic P222 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted square co-planar geometry to four equivalent O(5) atoms. All Sr(1)-O(5) bond lengths are 2.50 Å. In the second Sr site, Sr(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) and four equivalent O(6) atoms. All Sr(2)-O(2) bond lengths are 3.14 Å. All Sr(2)-O(6) bond lengths are 2.51 Å. In the third Sr site, Sr(3) is bonded in a distorted square co-planar geometry to four equivalent O(4) atoms. All Sr(3)-O(4) bond lengths are 2.51 Å. In the fourth Sr site, Sr(4) is bonded in a distorted square co-planar geometry to four equivalent O(2) and four equivalent O(4) atoms. All Sr(4)-O(2) bond lengths are 2.50 Å. All Sr(4)-O(4) bond lengths are 3.08 Å. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted square co-planar geometry to four equivalent O(3) atoms. All Ca(1)-O(3) bond lengths are 2.40 Å. In the second Ca site, Ca(2) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Ca(2)-O(1) bond lengths are 2.39 Å. In the third Ca site, Ca(3) is bonded in a distorted q6 geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. All Ca(3)-O(1) bond lengths are 3.01 Å. All Ca(3)-O(2) bond lengths are 2.96 Å. All Ca(3)-O(3) bond lengths are 2.97 Å. In the fourth Ca site, Ca(4) is bonded in a distorted q6 geometry to four equivalent O(4), four equivalent O(5), and four equivalent O(6) atoms. All Ca(4)-O(4) bond lengths are 3.00 Å. All Ca(4)-O(5) bond lengths are 2.99 Å. All Ca(4)-O(6) bond lengths are 2.96 Å. La(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LaO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. The La(1)-O(1) bond length is 2.35 Å. The La(1)-O(2) bond length is 2.35 Å. The La(1)-O(3) bond length is 2.39 Å. The La(1)-O(4) bond length is 2.37 Å. The La(1)-O(5) bond length is 2.34 Å. The La(1)-O(6) bond length is 2.35 Å. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-32°. The Sb(1)-O(1) bond length is 2.02 Å. The Sb(1)-O(2) bond length is 2.01 Å. The Sb(1)-O(3) bond length is 2.03 Å. The Sb(1)-O(4) bond length is 2.03 Å. The Sb(1)-O(5) bond length is 2.01 Å. The Sb(1)-O(6) bond length is 2.02 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one Ca(4), one La(1), and one Sb(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Sr(2), one Ca(4), one La(1), and one Sb(1) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to one Ca(2), one Ca(3), one La(1), and one Sb(1) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one Sr(2), one Sr(4), one Ca(3), one La(1), and one Sb(1) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(3), one La(1), and one Sb(1) atom. In the sixth O site, O(4) is bonded in a 3-coordinate geometry to one Sr(3), one Sr(4), one Ca(4), one La(1), and one Sb(1) atom.