Materials Data on Rb5GeP3 by Materials Project

Abstract

Rb5GeP3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are one shorter (3.63 Å) and two longer (3.64 Å) Rb–P bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.81 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.60–3.67 Å. In the fourth Rb1+ site, Rb1+ is bonded to four P3- atoms to form distorted corner-sharing RbP4 tetrahedra. There are a spread of Rb–P bond distances ranging from 3.48–3.53 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Rb–P bond distances ranging from 3.50–3.62 Å. Ge4+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ge–P bond distances ranging from 2.29–2.31 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ge4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to six Rb1+ and one Ge4+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight Rb1+ and one Ge4+ atom.