NdMnFeBiO6 crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 5-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 24°. Fe(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-41°. Bi(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(1) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Nd(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Nd(1) and two equivalent Fe(1) atoms to form distorted corner-sharing ONd2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(1), and one Bi(1) atom.
NdMnFeBiO6 crystallizes in the monoclinic P2_1 space group. Nd(1) is bonded in a 5-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There is one shorter (2.37 Å) and one longer (2.39 Å) Nd(1)-O(2) bond length. There is one shorter (2.49 Å) and one longer (2.77 Å) Nd(1)-O(4) bond length. There is one shorter (2.42 Å) and one longer (2.43 Å) Nd(1)-O(5) bond length. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 24°. The Mn(1)-O(1) bond length is 2.25 Å. The Mn(1)-O(2) bond length is 2.24 Å. The Mn(1)-O(3) bond length is 2.02 Å. The Mn(1)-O(6) bond length is 1.93 Å. There is one shorter (2.01 Å) and one longer (2.05 Å) Mn(1)-O(4) bond length. Fe(1) is bonded to one O(2), one O(3), one O(6), and two equivalent O(5) atoms to form distorted FeO5 trigonal bipyramids that share corners with three equivalent Mn(1)O6 octahedra and corners with two equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-41°. The Fe(1)-O(2) bond length is 2.04 Å. The Fe(1)-O(3) bond length is 1.92 Å. The Fe(1)-O(6) bond length is 1.92 Å. There is one shorter (2.00 Å) and one longer (2.05 Å) Fe(1)-O(5) bond length. Bi(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(1) atoms. The Bi(1)-O(3) bond length is 2.41 Å. The Bi(1)-O(6) bond length is 2.24 Å. There is one shorter (2.20 Å) and one longer (2.27 Å) Bi(1)-O(1) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to two equivalent Nd(1), one Mn(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Fe(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded to two equivalent Nd(1) and two equivalent Fe(1) atoms to form distorted corner-sharing ONd2Fe2 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Fe(1), and one Bi(1) atom.