Materials Data on K2LaN5O17 by Materials Project

Abstract

K2LaN5O17 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.27 Å. La is bonded in a distorted q6 geometry to twelve O atoms. There are a spread of La–O bond distances ranging from 2.66–2.76 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the second O site, O is bonded in a distorted single-bond geometry to one K, one La, and one N atom. In the third O site, O is bonded in a single-bond geometry to two equivalent K and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one K, one La, and one N atom. In the fifth O site, O is bonded in a trigonal planar geometry to two equivalent K and one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one La and one N atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two equivalent K and one N atom. In the eighth O site, O is bonded in a distorted single-bond geometry to one K, one La, and one N atom. In the ninth O site, O is bonded in a water-like geometry to one K and one La atom.