BaSrLaVO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Sr(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 La sites. In the first La site, La(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LaO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. In the second La site, La(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LaO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent La(2)O6 octahedra and corners with four equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent La(1)O6 octahedra and corners with four equivalent La(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one La(1), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(2), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one La(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(2), and one V(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one La(1), and one V(2) atom.
BaSrLaVO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(4), one O(6), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. The Ba(1)-O(1) bond length is 2.89 Å. The Ba(1)-O(4) bond length is 2.92 Å. The Ba(1)-O(6) bond length is 2.71 Å. There is one shorter (2.71 Å) and one longer (3.00 Å) Ba(1)-O(2) bond length. There is one shorter (2.68 Å) and one longer (3.01 Å) Ba(1)-O(3) bond length. There is one shorter (2.89 Å) and one longer (3.20 Å) Ba(1)-O(5) bond length. Sr(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 Sr(1)-O(2) bond length is 2.85 Å. The Sr(1)-O(3) bond length is 2.88 Å. The Sr(1)-O(5) bond length is 2.61 Å. The Sr(1)-O(6) bond length is 2.65 Å. There is one shorter (2.65 Å) and one longer (3.08 Å) Sr(1)-O(1) bond length. There is one shorter (2.66 Å) and one longer (2.90 Å) Sr(1)-O(4) bond length. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form LaO6 octahedra that share corners with two equivalent V(2)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-23°. Both La(1)-O(1) bond lengths are 2.39 Å. Both La(1)-O(3) bond lengths are 2.38 Å. Both La(1)-O(6) bond lengths are 2.38 Å. In the second La site, La(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LaO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. Both La(2)-O(2) bond lengths are 2.37 Å. Both La(2)-O(4) bond lengths are 2.39 Å. Both La(2)-O(5) bond lengths are 2.39 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent La(2)O6 octahedra and corners with four equivalent La(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-24°. Both V(1)-O(1) bond lengths are 1.94 Å. Both V(1)-O(3) bond lengths are 1.92 Å. Both V(1)-O(5) bond lengths are 1.94 Å. In the second V site, V(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent La(1)O6 octahedra and corners with four equivalent La(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-24°. Both V(2)-O(2) bond lengths are 1.91 Å. Both V(2)-O(4) bond lengths are 1.95 Å. Both V(2)-O(6) bond lengths are 1.92 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one La(1), and one V(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(2), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ba(1), two equivalent Sr(1), one La(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one La(2), and one V(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Sr(1), one La(1), and one V(2) atom.