Na5MoNO4 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent Mo(1)NO4 trigonal bipyramids and edges with two equivalent Na(1)O4 trigonal pyramids. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one N(1) and four equivalent O(1) atoms. In the third Na site, Na(3) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. Mo(1) is bonded to one N(1) and four equivalent O(1) atoms to form distorted MoNO4 trigonal bipyramids that share corners with eight equivalent Na(1)O4 trigonal pyramids. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one Mo(1) atom. O(1) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Mo(1) atom to form a mixture of edge, corner, and face-sharing ONa5Mo octahedra. The corner-sharing octahedral tilt angles range from 0-39°.
Na5MoNO4 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded to four equivalent O(1) atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent Mo(1)NO4 trigonal bipyramids and edges with two equivalent Na(1)O4 trigonal pyramids. There are two shorter (2.31 Å) and two longer (2.48 Å) Na(1)-O(1) bond lengths. In the second Na site, Na(2) is bonded in a 5-coordinate geometry to one N(1) and four equivalent O(1) atoms. The Na(2)-N(1) bond length is 2.43 Å. There are two shorter (2.38 Å) and two longer (2.44 Å) Na(2)-O(1) bond lengths. In the third Na site, Na(3) is bonded in a distorted square co-planar geometry to four equivalent O(1) atoms. All Na(3)-O(1) bond lengths are 2.26 Å. Mo(1) is bonded to one N(1) and four equivalent O(1) atoms to form distorted MoNO4 trigonal bipyramids that share corners with eight equivalent Na(1)O4 trigonal pyramids. The Mo(1)-N(1) bond length is 1.76 Å. All Mo(1)-O(1) bond lengths are 1.99 Å. N(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one Mo(1) atom. O(1) is bonded to one Na(3), two equivalent Na(1), two equivalent Na(2), and one Mo(1) atom to form a mixture of edge, corner, and face-sharing ONa5Mo octahedra. The corner-sharing octahedral tilt angles range from 0-39°.