BaYNbSnO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 Nb(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. 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 Nb(1)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NbO6 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 21-29°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 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 20-27°. Sn(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Y(2), one Nb(2), and one Sn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Y(1), one Nb(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(2), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Y(1), one Nb(2), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Y(2), one Nb(1), and one Sn(1) atom.
BaYNbSnO6 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. The Ba(1)-O(2) bond length is 2.92 Å. The Ba(1)-O(3) bond length is 2.83 Å. There is one shorter (2.69 Å) and one longer (2.91 Å) Ba(1)-O(1) bond length. There is one shorter (2.69 Å) and one longer (2.85 Å) Ba(1)-O(4) bond length. There is one shorter (2.70 Å) and one longer (3.27 Å) Ba(1)-O(5) bond length. There is one shorter (2.97 Å) and one longer (3.12 Å) Ba(1)-O(6) 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 Nb(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-28°. Both Y(1)-O(1) bond lengths are 2.26 Å. Both Y(1)-O(3) bond lengths are 2.32 Å. Both Y(1)-O(5) bond lengths are 2.28 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 Nb(1)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. Both Y(2)-O(2) bond lengths are 2.29 Å. Both Y(2)-O(4) bond lengths are 2.25 Å. Both Y(2)-O(6) bond lengths are 2.32 Å. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NbO6 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 21-29°. Both Nb(1)-O(1) bond lengths are 2.00 Å. Both Nb(1)-O(3) bond lengths are 2.04 Å. Both Nb(1)-O(6) bond lengths are 2.07 Å. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 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 20-27°. Both Nb(2)-O(2) bond lengths are 2.06 Å. Both Nb(2)-O(4) bond lengths are 2.01 Å. Both Nb(2)-O(5) bond lengths are 2.03 Å. Sn(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(6) atom. The Sn(1)-O(2) bond length is 2.51 Å. The Sn(1)-O(3) bond length is 2.56 Å. The Sn(1)-O(5) bond length is 2.73 Å. The Sn(1)-O(6) bond length is 2.40 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Y(2), one Nb(2), and one Sn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Y(1), one Nb(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Y(2), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Y(1), one Nb(2), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Y(2), one Nb(1), and one Sn(1) atom.