Materials Data on La2P2AuO by Materials Project

Abstract

La2AuP2O crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 3-coordinate geometry to four P3- and three equivalent O2- atoms. There are a spread of La–P bond distances ranging from 3.06–3.33 Å. There are two shorter (2.42 Å) and one longer (2.44 Å) La–O bond lengths. In the second La3+ site, La3+ is bonded in a distorted single-bond geometry to seven P3- and one O2- atom. There are a spread of La–P bond distances ranging from 3.04–3.38 Å. The La–O bond length is 2.42 Å. Au2+ is bonded in a trigonal planar geometry to three P3- atoms. There are two shorter (2.44 Å) and one longer (2.51 Å) Au–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 1-coordinate geometry to six La3+, one Au2+, and one P3- atom. The P–P bond length is 2.22 Å. In the second P3- site, P3- is bonded in a 7-coordinate geometry to five La3+ and two equivalent Au2+ atoms. O2- is bonded to four La3+ atoms to form a mixture of edge and corner-sharing OLa4 tetrahedra.