Bi2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mn(1), one Ni(1), and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mn(1), one Ni(1), and three equivalent Bi(1) atoms. In the third O site, O(3) is bonded to one Mn(1), one Ni(1), and two equivalent Bi(1) atoms to form distorted corner-sharing OMnNiBi2 tetrahedra.
Bi2NiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. Both Mn(1)-O(1) bond lengths are 1.96 Å. Both Mn(1)-O(2) bond lengths are 1.96 Å. Both Mn(1)-O(3) bond lengths are 1.95 Å. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-30°. Both Ni(1)-O(1) bond lengths are 2.10 Å. Both Ni(1)-O(2) bond lengths are 2.10 Å. Both Ni(1)-O(3) bond lengths are 2.07 Å. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(3), three equivalent O(1), and three equivalent O(2) atoms. There is one shorter (2.33 Å) and one longer (2.42 Å) Bi(1)-O(3) bond length. There are a spread of Bi(1)-O(1) bond distances ranging from 2.40-2.68 Å. There are a spread of Bi(1)-O(2) bond distances ranging from 2.40-2.68 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mn(1), one Ni(1), and three equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mn(1), one Ni(1), and three equivalent Bi(1) atoms. In the third O site, O(3) is bonded to one Mn(1), one Ni(1), and two equivalent Bi(1) atoms to form distorted corner-sharing OMnNiBi2 tetrahedra.