Materials Data on Li5GeP3 by Materials Project

Abstract

Li5GeP3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.53–2.59 Å. In the second Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.52–2.74 Å. In the third Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.55–2.62 Å. In the fourth Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.53–2.71 Å. In the fifth Li1+ site, Li1+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing LiP4 tetrahedra. There are a spread of Li–P bond distances ranging from 2.54–2.61 Å. Ge4+ is bonded in a trigonal planar geometry to three P3- atoms. All Ge–P bond lengths are 2.29 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to seven Li1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a body-centered cubic geometry to seven Li1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 7-coordinate geometry to six Li1+ and one Ge4+ atom.