Na5GdO4 is pyrite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the third Na site, Na(3) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with four equivalent Gd(1)O4 tetrahedra. Gd(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted GdO4 tetrahedra that share corners with four equivalent Na(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Gd(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Na(2), and one Gd(1) atom. In the third O site, O(3) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Gd(1) atom to form corner-sharing ONa5Gd octahedra. The corner-sharing octahedral tilt angles range from 42-51°.
Na5GdO4 is pyrite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 3-coordinate geometry to one O(1) and two equivalent O(3) atoms. The Na(1)-O(1) bond length is 2.28 Å. There is one shorter (2.38 Å) and one longer (2.41 Å) Na(1)-O(3) bond length. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. The Na(2)-O(1) bond length is 2.82 Å. The Na(2)-O(2) bond length is 2.36 Å. There is one shorter (2.31 Å) and one longer (2.39 Å) Na(2)-O(3) bond length. In the third Na site, Na(3) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted NaO4 tetrahedra that share corners with four equivalent Gd(1)O4 tetrahedra. The Na(3)-O(1) bond length is 2.49 Å. The Na(3)-O(2) bond length is 2.41 Å. Both Na(3)-O(3) bond lengths are 2.40 Å. Gd(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form distorted GdO4 tetrahedra that share corners with four equivalent Na(3)O4 tetrahedra. The Gd(1)-O(1) bond length is 2.16 Å. The Gd(1)-O(2) bond length is 2.19 Å. Both Gd(1)-O(3) bond lengths are 2.20 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Gd(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(3), two equivalent Na(2), and one Gd(1) atom. In the third O site, O(3) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Gd(1) atom to form corner-sharing ONa5Gd octahedra. The corner-sharing octahedral tilt angles range from 42-51°.