NaNdWFeO6 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. W(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 WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. Fe(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 FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one W(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Nd(1), one W(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Nd(1), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded to two equivalent Nd(1), one W(1), and one Fe(1) atom to form distorted corner-sharing ONd2FeW tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one W(1), and one Fe(1) atom.
NaNdWFeO6 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. There is one shorter (2.42 Å) and one longer (2.91 Å) Na(1)-O(3) bond length. There is one shorter (2.40 Å) and one longer (2.89 Å) Na(1)-O(4) bond length. There is one shorter (2.37 Å) and one longer (2.59 Å) Na(1)-O(6) bond length. Nd(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. The Nd(1)-O(3) bond length is 2.68 Å. The Nd(1)-O(4) bond length is 2.69 Å. There is one shorter (2.45 Å) and one longer (2.54 Å) Nd(1)-O(1) bond length. There is one shorter (2.42 Å) and one longer (2.56 Å) Nd(1)-O(2) bond length. There is one shorter (2.38 Å) and one longer (2.45 Å) Nd(1)-O(5) bond length. W(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 WO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. The W(1)-O(1) bond length is 1.99 Å. The W(1)-O(2) bond length is 2.01 Å. The W(1)-O(3) bond length is 1.90 Å. The W(1)-O(4) bond length is 1.92 Å. The W(1)-O(5) bond length is 2.09 Å. The W(1)-O(6) bond length is 1.86 Å. Fe(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 FeO6 octahedra that share corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. The Fe(1)-O(1) bond length is 2.18 Å. The Fe(1)-O(2) bond length is 2.12 Å. The Fe(1)-O(3) bond length is 2.13 Å. The Fe(1)-O(4) bond length is 2.11 Å. The Fe(1)-O(5) bond length is 2.25 Å. The Fe(1)-O(6) bond length is 2.15 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one W(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Nd(1), one W(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Nd(1), one W(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Nd(1), one W(1), and one Fe(1) atom. In the fifth O site, O(5) is bonded to two equivalent Nd(1), one W(1), and one Fe(1) atom to form distorted corner-sharing ONd2FeW tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Na(1), one W(1), and one Fe(1) atom.