Materials Data on La2GeS5 by Materials Project

Abstract

La2GeS5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of La–S bond distances ranging from 2.78–3.39 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.79–3.46 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.16–2.44 Å. There are five inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to five La3+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent La3+ and two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded to three La3+ and one Ge4+ atom to form distorted corner-sharing SLa3Ge trigonal pyramids. In the fourth S2- site, S2- is bonded in a bent 120 degrees geometry to one La3+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four La3+ atoms.