BaNdNiSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Nd(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-32°. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-32°. 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 Nd(1), one Ni(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Nd(1), one Ni(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), one Ni(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Nd(1), one Ni(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Nd(1), one Ni(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Nd(1), one Ni(1), and one Sb(1) atom.
BaNdNiSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There is one shorter (2.61 Å) and one longer (3.14 Å) Ba(1)-O(1) bond length. There is one shorter (2.67 Å) and one longer (3.13 Å) Ba(1)-O(2) bond length. There is one shorter (2.70 Å) and one longer (3.09 Å) Ba(1)-O(3) bond length. There is one shorter (2.84 Å) and one longer (3.07 Å) Ba(1)-O(4) bond length. There is one shorter (2.84 Å) and one longer (2.92 Å) Ba(1)-O(5) bond length. There is one shorter (2.80 Å) and one longer (2.95 Å) Ba(1)-O(6) bond length. Nd(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. The Nd(1)-O(1) bond length is 2.46 Å. The Nd(1)-O(2) bond length is 2.46 Å. The Nd(1)-O(4) bond length is 2.41 Å. The Nd(1)-O(5) bond length is 2.46 Å. The Nd(1)-O(6) bond length is 2.46 Å. There is one shorter (2.52 Å) and one longer (2.97 Å) Nd(1)-O(3) bond length. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-32°. The Ni(1)-O(1) bond length is 2.09 Å. The Ni(1)-O(2) bond length is 2.14 Å. The Ni(1)-O(3) bond length is 2.15 Å. The Ni(1)-O(4) bond length is 2.14 Å. The Ni(1)-O(5) bond length is 2.15 Å. The Ni(1)-O(6) bond length is 2.10 Å. Sb(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form SbO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-32°. The Sb(1)-O(1) bond length is 2.00 Å. The Sb(1)-O(2) bond length is 2.03 Å. The Sb(1)-O(3) bond length is 2.02 Å. The Sb(1)-O(4) bond length is 2.03 Å. The Sb(1)-O(5) bond length is 2.01 Å. The Sb(1)-O(6) bond length is 2.03 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 Nd(1), one Ni(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Nd(1), one Ni(1), and one Sb(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Nd(1), one Ni(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Nd(1), one Ni(1), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Nd(1), one Ni(1), and one Sb(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Nd(1), one Ni(1), and one Sb(1) atom.