BaSrNdNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share faces with four equivalent Nd(1)O6 octahedra and faces with four equivalent Nb(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 20-24°. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 20-24°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Nd(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), one Nd(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(2), one Nd(1), and one Nb(1) atom.
BaSrNdNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pnnn space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share faces with four equivalent Nd(1)O6 octahedra and faces with four equivalent Nb(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 3.04 Å. All Ba(1)-O(2) bond lengths are 3.02 Å. All Ba(1)-O(3) bond lengths are 3.07 Å. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(3) atoms. All Ba(2)-O(1) bond lengths are 2.67 Å. All Ba(2)-O(3) bond lengths are 3.09 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. All Sr(1)-O(1) bond lengths are 3.10 Å. All Sr(1)-O(2) bond lengths are 2.59 Å. In the second Sr site, Sr(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(3) atoms. All Sr(2)-O(3) bond lengths are 2.58 Å. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NdO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 20-24°. Both Nd(1)-O(1) bond lengths are 2.34 Å. Both Nd(1)-O(2) bond lengths are 2.36 Å. Both Nd(1)-O(3) bond lengths are 2.36 Å. Nb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NbO6 octahedra that share corners with six equivalent Nd(1)O6 octahedra and faces with two equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 20-24°. Both Nb(1)-O(1) bond lengths are 2.02 Å. Both Nb(1)-O(2) bond lengths are 2.04 Å. Both Nb(1)-O(3) bond lengths are 2.04 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(1), one Nd(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Sr(1), one Nd(1), and one Nb(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Sr(2), one Nd(1), and one Nb(1) atom.