Materials Data on NaGe by Materials Project
NaGe crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Na–Ge bond distances ranging from 3.01–3.34 Å. In the second Na site, Na is bonded in a 5-coordinate geometry to six Ge atoms. There are a spread of Na–Ge bond distances ranging from 3.03–3.51 Å. In the third Na site, Na is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Na–Ge bond distances ranging from 2.96–3.32 Å. In the fourth Na site, Na is bonded in a 4-coordinate geometry to five Ge atoms. There are a spread of Na–Ge bond distances ranging from 2.94–3.47 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Na and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.58–2.64 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Na and three Ge atoms. There are one shorter (2.59 Å) and one longer (2.62 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 5-coordinate geometry to five Na and three Ge atoms. The Ge–Ge bond length is 2.58 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Na and three Ge atoms.