Materials Data on Ba(GeP)2 by Materials Project

Abstract

Ba(GeP)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. There are four shorter (3.44 Å) and four longer (3.53 Å) Ba–P bond lengths. In the second Ba2+ site, Ba2+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. There are four shorter (3.35 Å) and four longer (3.46 Å) Ba–P bond lengths. There are two inequivalent Ge2+ sites. In the first Ge2+ site, Ge2+ is bonded in a water-like geometry to two equivalent P3- atoms. Both Ge–P bond lengths are 2.34 Å. In the second Ge2+ site, Ge2+ is bonded in a bent 120 degrees geometry to two equivalent P3- atoms. Both Ge–P bond lengths are 2.35 Å. P3- is bonded in a 6-coordinate geometry to four Ba2+ and two Ge2+ atoms.