Materials Data on Rb5Nd2N11O34 by Materials Project

Abstract

Rb5Nd2N11O34 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.13 Å. In the second Rb site, Rb is bonded in a 12-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.92–3.31 Å. In the third Rb site, Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.96–3.21 Å. Nd is bonded to twelve O atoms to form corner-sharing NdO12 cuboctahedra. There are a spread of Nd–O bond distances ranging from 2.57–2.76 Å. There are six 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 1.25–1.29 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.26 Å) and one longer (1.28 Å) N–O bond length. In the fourth 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 fifth 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 1.24–1.29 Å. In the sixth 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 1.24–1.29 Å. There are eighteen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Rb, one Nd, and one N atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the third O site, O is bonded in a trigonal planar geometry to three Rb atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to one Rb, one Nd, and one N atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Rb, one Nd, and one N atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb, one Nd, and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one Nd and one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Rb, one Nd, and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to two equivalent Nd and one N atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Rb, one Nd, and one N atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one Rb, one Nd, and one N atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the fifteenth O site, O is bonded in a distorted single-bond geometry to one Nd and one N atom. In the sixteenth O site, O is bonded in a distorted single-bond geometry to one Rb, one Nd, and one N atom. In the seventeenth O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the eighteenth O site, O is bonded in a distorted single-bond geometry to one Rb, one Nd, and one N atom.