BaEuNdVO6 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. Eu(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 Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NdO6 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 21-26°. In the second Nd site, Nd(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NdO6 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 19-29°. 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 Nd(2)O6 octahedra and corners with four equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. 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 Nd(1)O6 octahedra and corners with four equivalent Nd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-26°. 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 Eu(1), one Nd(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 Eu(1), one Nd(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 Eu(1), one Nd(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 Eu(1), one Nd(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 Eu(1), one Nd(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 Eu(1), one Nd(1), and one V(2) atom.
BaEuNdVO6 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 2.86 Å. The Ba(1)-O(4) bond length is 2.89 Å. The Ba(1)-O(6) bond length is 2.67 Å. There is one shorter (2.68 Å) and one longer (2.99 Å) Ba(1)-O(2) bond length. There is one shorter (2.62 Å) and one longer (2.99 Å) Ba(1)-O(3) bond length. There is one shorter (2.89 Å) and one longer (3.12 Å) Ba(1)-O(5) bond length. Eu(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 Eu(1)-O(2) bond length is 2.85 Å. The Eu(1)-O(3) bond length is 2.84 Å. The Eu(1)-O(5) bond length is 2.44 Å. The Eu(1)-O(6) bond length is 2.60 Å. There is one shorter (2.52 Å) and one longer (3.00 Å) Eu(1)-O(1) bond length. There is one shorter (2.59 Å) and one longer (2.87 Å) Eu(1)-O(4) bond length. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NdO6 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 21-26°. Both Nd(1)-O(1) bond lengths are 2.32 Å. Both Nd(1)-O(3) bond lengths are 2.32 Å. Both Nd(1)-O(6) bond lengths are 2.34 Å. In the second Nd site, Nd(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NdO6 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 19-29°. Both Nd(2)-O(2) bond lengths are 2.32 Å. Both Nd(2)-O(4) bond lengths are 2.36 Å. Both Nd(2)-O(5) bond lengths are 2.32 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 Nd(2)O6 octahedra and corners with four equivalent Nd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-29°. Both V(1)-O(1) bond lengths are 1.99 Å. Both V(1)-O(3) bond lengths are 1.89 Å. Both V(1)-O(5) bond lengths are 1.99 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 Nd(1)O6 octahedra and corners with four equivalent Nd(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-26°. Both V(2)-O(2) bond lengths are 1.87 Å. Both V(2)-O(4) bond lengths are 1.95 Å. Both V(2)-O(6) bond lengths are 1.91 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 Eu(1), one Nd(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 Eu(1), one Nd(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 Eu(1), one Nd(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 Eu(1), one Nd(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 Eu(1), one Nd(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 Eu(1), one Nd(1), and one V(2) atom.