Materials Data on YbN3O14 by Materials Project

Abstract

YbN3O14 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two YbN3O14 ribbons oriented in the (1, 0, 0) direction. Yb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Yb–O bond distances ranging from 2.43–2.83 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 (1.23 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 is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fourteen inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Yb and one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.28 Å) and one longer (1.29 Å) O–O bond length. In the third O site, O is bonded in a distorted L-shaped geometry to one Yb and one N atom. In the fourth O site, O is bonded in a distorted L-shaped geometry to one Yb and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a distorted L-shaped geometry to one Yb and one N atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to one Yb and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a distorted water-like geometry to one Yb and one N atom. In the tenth O site, O is bonded in a distorted L-shaped geometry to one Yb and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to one N atom. In the twelfth O site, O is bonded in a single-bond geometry to one O atom. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to one Yb and one O atom. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to one Yb and one O atom.