Materials Data on Na3MnO4 by Materials Project

Na3MnO4 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a distorted T-shaped geometry to three equivalent O atoms. All Na–O bond lengths are 2.33 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to four O atoms. There are one shorter (2.21 Å) and three longer (2.39 Å) Na–O bond lengths. In the third Na site, Na is bonded in a trigonal planar geometry to three equivalent O atoms. All Na–O bond lengths are 2.34 Å. Mn is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.69 Å) and three longer (1.73 Å) Mn–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Na and one Mn atom. In the second O site, O is bonded in a 4-coordinate geometry to three Na and one Mn atom.