Materials Data on LaPbNO5 by Materials Project

Abstract

LaPbNO5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two LaPbNO5 sheets oriented in the (1, 0, 0) direction. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.87 Å. Pb2+ is bonded in a 6-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.36–2.54 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.27 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent La3+ and two equivalent Pb2+ atoms to form a mixture of edge and corner-sharing OLa2Pb2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing OLa2Pb2 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one N5+ atom.