BaSr3Lu2(BiO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), one O(8), two equivalent O(12), and two equivalent O(9) atoms. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form LuO6 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 20-28°. In the second Lu site, Lu(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form LuO6 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 20-27°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form BiO6 octahedra that share corners with two equivalent Lu(1)O6 octahedra and corners with four equivalent Lu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. In the second Bi site, Bi(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form BiO6 octahedra that share corners with two equivalent Lu(2)O6 octahedra and corners with four equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(2), one Sr(3), one Lu(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(3), one Lu(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Lu(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Lu(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Lu(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Lu(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(3), one Lu(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(2), one Sr(3), one Lu(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Lu(1), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Lu(2), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Sr(2), one Sr(3), one Lu(1), and one Bi(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Lu(2), and one Bi(2) atom.
BaSr3Lu2(BiO6)2 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), one O(8), two equivalent O(12), and two equivalent O(9) atoms. The Ba(1)-O(1) bond length is 3.06 Å. The Ba(1)-O(2) bond length is 2.93 Å. The Ba(1)-O(3) bond length is 2.69 Å. The Ba(1)-O(6) bond length is 2.67 Å. The Ba(1)-O(7) bond length is 2.95 Å. The Ba(1)-O(8) bond length is 3.05 Å. There is one shorter (2.88 Å) and one longer (3.23 Å) Ba(1)-O(12) bond length. There is one shorter (2.69 Å) and one longer (3.31 Å) Ba(1)-O(9) bond length. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. The Sr(1)-O(12) bond length is 2.56 Å. The Sr(1)-O(2) bond length is 2.60 Å. The Sr(1)-O(3) bond length is 2.85 Å. The Sr(1)-O(4) bond length is 3.05 Å. The Sr(1)-O(5) bond length is 3.03 Å. The Sr(1)-O(6) bond length is 2.86 Å. The Sr(1)-O(7) bond length is 2.59 Å. The Sr(1)-O(9) bond length is 2.68 Å. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The Sr(2)-O(1) bond length is 2.60 Å. The Sr(2)-O(10) bond length is 2.71 Å. The Sr(2)-O(11) bond length is 2.55 Å. The Sr(2)-O(3) bond length is 2.97 Å. The Sr(2)-O(4) bond length is 2.82 Å. The Sr(2)-O(5) bond length is 2.83 Å. The Sr(2)-O(6) bond length is 2.96 Å. The Sr(2)-O(8) bond length is 2.58 Å. In the third Sr site, Sr(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(4), one O(5), one O(7), and one O(8) atom. The Sr(3)-O(1) bond length is 2.85 Å. The Sr(3)-O(10) bond length is 2.55 Å. The Sr(3)-O(11) bond length is 2.72 Å. The Sr(3)-O(2) bond length is 2.98 Å. The Sr(3)-O(4) bond length is 2.62 Å. The Sr(3)-O(5) bond length is 2.61 Å. The Sr(3)-O(7) bond length is 2.95 Å. The Sr(3)-O(8) bond length is 2.87 Å. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form LuO6 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 20-28°. The Lu(1)-O(11) bond length is 2.18 Å. The Lu(1)-O(2) bond length is 2.20 Å. The Lu(1)-O(4) bond length is 2.20 Å. The Lu(1)-O(6) bond length is 2.18 Å. The Lu(1)-O(8) bond length is 2.20 Å. The Lu(1)-O(9) bond length is 2.20 Å. In the second Lu site, Lu(2) is bonded to one O(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom to form LuO6 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 20-27°. The Lu(2)-O(1) bond length is 2.19 Å. The Lu(2)-O(10) bond length is 2.18 Å. The Lu(2)-O(12) bond length is 2.23 Å. The Lu(2)-O(3) bond length is 2.18 Å. The Lu(2)-O(5) bond length is 2.20 Å. The Lu(2)-O(7) bond length is 2.20 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form BiO6 octahedra that share corners with two equivalent Lu(1)O6 octahedra and corners with four equivalent Lu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. The Bi(1)-O(1) bond length is 2.14 Å. The Bi(1)-O(11) bond length is 2.13 Å. The Bi(1)-O(3) bond length is 2.13 Å. The Bi(1)-O(5) bond length is 2.15 Å. The Bi(1)-O(7) bond length is 2.15 Å. The Bi(1)-O(9) bond length is 2.15 Å. In the second Bi site, Bi(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form BiO6 octahedra that share corners with two equivalent Lu(2)O6 octahedra and corners with four equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-27°. The Bi(2)-O(10) bond length is 2.13 Å. The Bi(2)-O(12) bond length is 2.16 Å. The Bi(2)-O(2) bond length is 2.14 Å. The Bi(2)-O(4) bond length is 2.14 Å. The Bi(2)-O(6) bond length is 2.13 Å. The Bi(2)-O(8) bond length is 2.14 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(2), one Sr(3), one Lu(2), and one Bi(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(3), one Lu(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Lu(2), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Lu(1), and one Bi(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Lu(2), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(2), one Lu(1), and one Bi(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(1), one Sr(3), one Lu(2), and one Bi(1) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Ba(1), one Sr(2), one Sr(3), one Lu(1), and one Bi(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Lu(1), and one Bi(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(2), one Sr(3), one Lu(2), and one Bi(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one Sr(2), one Sr(3), one Lu(1), and one Bi(1) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Lu(2), and one Bi(2) atom.