Materials Data on Rb2CeN5O19 by Materials Project

Abstract

Rb2N5O17CeO2 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of four cerium(2+), dihydroxy- molecules and two Rb2N5O17 sheets oriented in the (0, 0, 1) direction. In each Rb2N5O17 sheet, there are two inequivalent Rb sites. In the first 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 2.96–3.26 Å. In the second 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 2.95–3.44 Å. There are five inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.26 Å) and two longer (1.27 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 1.25–1.28 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the fourth 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 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 1.25–1.28 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the second O site, O is bonded in a distorted single-bond geometry to one Rb and one N atom. In the third O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one Rb 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 single-bond geometry to two Rb and one N atom. In the seventh O site, O is bonded in a single-bond geometry to 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 single-bond geometry to one Rb and one N atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one Rb and one N atom. In the eleventh O site, O is bonded in a distorted single-bond geometry to one N atom. In the twelfth O site, O is bonded in a distorted single-bond geometry to one Rb and one N atom. In the thirteenth O site, O is bonded in a distorted single-bond geometry to one N atom. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one Rb and one N atom. In the fifteenth O site, O is bonded in a distorted single-bond geometry to two Rb and one N atom. In the sixteenth O site, O is bonded in a water-like geometry to two Rb atoms. In the seventeenth O site, O is bonded in a distorted single-bond geometry to one Rb atom.