Materials Data on NaGe4(PO4)3 by Materials Project

NaGe4(PO4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.54–2.75 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Ge–O bond lengths are 1.96 Å. In the second Ge4+ site, Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ge–O bond distances ranging from 1.95–1.99 Å. P+2.33+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.55 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one P+2.33+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Ge4+, and one P+2.33+ atom.