Ca2Nd2MnNiO8 crystallizes in the orthorhombic Cmme space group. Ca(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(4), two equivalent O(6), and four equivalent O(2) atoms. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and two equivalent Ni(1) atoms. In the second O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Mn(1) atoms. In the third O site, O(5) is bonded to four equivalent Nd(1) and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing ONd4Ni2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(6) is bonded to four equivalent Ca(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), four equivalent Nd(1), and one Ni(1) atom. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1), one Nd(1), and one Mn(1) atom.
Ca2Nd2MnNiO8 crystallizes in the orthorhombic Cmme space group. Ca(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(4), two equivalent O(6), and four equivalent O(2) atoms. The Ca(1)-O(1) bond length is 2.27 Å. There is one shorter (2.45 Å) and one longer (2.63 Å) Ca(1)-O(4) bond length. Both Ca(1)-O(6) bond lengths are 2.53 Å. There are two shorter (2.49 Å) and two longer (3.03 Å) Ca(1)-O(2) bond lengths. Nd(1) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. The Nd(1)-O(2) bond length is 2.30 Å. There is one shorter (2.50 Å) and one longer (2.74 Å) Nd(1)-O(3) bond length. Both Nd(1)-O(5) bond lengths are 2.60 Å. There are two shorter (2.44 Å) and two longer (3.10 Å) Nd(1)-O(1) bond lengths. Mn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. Both Mn(1)-O(2) bond lengths are 1.98 Å. Both Mn(1)-O(4) bond lengths are 1.95 Å. Both Mn(1)-O(6) bond lengths are 1.94 Å. Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-19°. Both Ni(1)-O(1) bond lengths are 2.15 Å. Both Ni(1)-O(3) bond lengths are 1.96 Å. Both Ni(1)-O(5) bond lengths are 1.93 Å. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Nd(1) and two equivalent Ni(1) atoms. In the second O site, O(4) is bonded in a 6-coordinate geometry to four equivalent Ca(1) and two equivalent Mn(1) atoms. In the third O site, O(5) is bonded to four equivalent Nd(1) and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing ONd4Ni2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(6) is bonded to four equivalent Ca(1) and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), four equivalent Nd(1), and one Ni(1) atom. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ca(1), one Nd(1), and one Mn(1) atom.