Materials Data on Ge(PO2)3 by Materials Project

Abstract

Ge(PO2)3 crystallizes in the trigonal R-3 space group. The structure is one-dimensional and consists of three Ge(PO2)3 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ge–O bond lengths are 2.33 Å. In the second Ge4+ site, Ge4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ge–O bond lengths are 1.92 Å. P+2.67+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.51 Å) and one longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P+2.67+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ge4+ and one P+2.67+ atom.