La2NiRhO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. Rh(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 RhO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with six equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with six equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are six inequivalent O sites. In the first O site, O(5) is bonded to two equivalent La(1), one Rh(1), and one Ni(1) atom to form distorted corner-sharing OLa2NiRh tetrahedra. In the second O site, O(6) is bonded to two equivalent La(2), one Rh(1), and one Ni(2) atom to form distorted corner-sharing OLa2NiRh tetrahedra. In the third O site, O(1) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Rh(1), and one Ni(2) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Rh(1), and one Ni(1) atom. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Rh(1), and one Ni(1) atom. In the sixth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Rh(1), and one Ni(2) atom.
La2NiRhO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. The La(1)-O(1) bond length is 2.63 Å. The La(1)-O(4) bond length is 2.43 Å. There is one shorter (2.41 Å) and one longer (2.79 Å) La(1)-O(2) bond length. There is one shorter (2.64 Å) and one longer (2.80 Å) La(1)-O(3) bond length. There is one shorter (2.39 Å) and one longer (2.48 Å) La(1)-O(5) bond length. In the second La site, La(2) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. The La(2)-O(2) bond length is 2.65 Å. The La(2)-O(3) bond length is 2.42 Å. There is one shorter (2.42 Å) and one longer (2.79 Å) La(2)-O(1) bond length. There is one shorter (2.65 Å) and one longer (2.79 Å) La(2)-O(4) bond length. There is one shorter (2.39 Å) and one longer (2.48 Å) La(2)-O(6) bond length. Rh(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 RhO6 octahedra that share corners with three equivalent Ni(1)O6 octahedra and corners with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. The Rh(1)-O(1) bond length is 2.04 Å. The Rh(1)-O(2) bond length is 2.04 Å. The Rh(1)-O(3) bond length is 2.04 Å. The Rh(1)-O(4) bond length is 2.03 Å. The Rh(1)-O(5) bond length is 2.03 Å. The Rh(1)-O(6) bond length is 2.03 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with six equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. Both Ni(1)-O(2) bond lengths are 2.08 Å. Both Ni(1)-O(3) bond lengths are 2.10 Å. Both Ni(1)-O(5) bond lengths are 2.07 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with six equivalent Rh(1)O6 octahedra. The corner-sharing octahedral tilt angles are 29°. Both Ni(2)-O(1) bond lengths are 2.09 Å. Both Ni(2)-O(4) bond lengths are 2.09 Å. Both Ni(2)-O(6) bond lengths are 2.06 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded to two equivalent La(1), one Rh(1), and one Ni(1) atom to form distorted corner-sharing OLa2NiRh tetrahedra. In the second O site, O(6) is bonded to two equivalent La(2), one Rh(1), and one Ni(2) atom to form distorted corner-sharing OLa2NiRh tetrahedra. In the third O site, O(1) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Rh(1), and one Ni(2) atom. In the fourth O site, O(2) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Rh(1), and one Ni(1) atom. In the fifth O site, O(3) is bonded in a 5-coordinate geometry to one La(2), two equivalent La(1), one Rh(1), and one Ni(1) atom. In the sixth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), two equivalent La(2), one Rh(1), and one Ni(2) atom.