DOI: 10.17188/1285987
title: Materials Data on Yb6H20N8O49 by Materials Project

description: Yb6N6H20O43(NO3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two nitric acid molecules and one Yb6N6H20O43 ribbon oriented in the (0, 1, 0) direction. In the Yb6N6H20O43 ribbon, there are three inequivalent Yb sites. In the first Yb site, Yb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Yb–O bond distances ranging from 2.38–2.61 Å. In the second Yb site, Yb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.75 Å. In the third Yb site, Yb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Yb–O bond distances ranging from 2.32–2.53 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 (1.26 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 1.25–1.27 Å. In the third 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. There are ten inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.02 Å) and one longer (1.63 Å) H–O bond length. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the seventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the eighth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the ninth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.70 Å) H–O bond length. In the tenth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are twenty-two inequivalent O sites. In the first O site, O is bonded in an octahedral geometry to six Yb atoms. In the second O site, O is bonded in a distorted single-bond geometry to three Yb and one H atom. In the third O site, O is bonded in a distorted single-bond geometry to three Yb and one H atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three Yb and one H atom. In the fifth O site, O is bonded in a distorted single-bond geometry to three Yb and one H atom. In the sixth O site, O is bonded in a water-like geometry to one Yb and two H atoms. In the seventh O site, O is bonded in a distorted single-bond geometry to one Yb and one H atom. In the eighth O site, O is bonded in a single-bond geometry to one Yb and one H atom. In the ninth O site, O is bonded in a single-bond geometry to one Yb and one H atom. In the tenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.31 Å) O–O bond length. In the eleventh O site, O is bonded in a water-like geometry to one Yb and one O 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 distorted single-bond geometry to two H atoms. In the fourteenth O site, O is bonded in a distorted single-bond geometry to one Yb and one N atom. In the fifteenth O site, O is bonded in a distorted L-shaped geometry to one Yb and one N atom. In the sixteenth O site, O is bonded in a distorted bent 120 degrees geometry to one N and one H atom. In the seventeenth O site, O is bonded in a single-bond geometry to one Yb and one N atom. In the eighteenth O site, O is bonded in a distorted water-like geometry to one Yb and one N atom. In the nineteenth O site, O is bonded in a single-bond geometry to one N atom. In the twentieth O site, O is bonded in a distorted L-shaped geometry to one Yb and one N atom. In the twenty-first O site, O is bonded in a distorted L-shaped geometry to one Yb and one N atom. In the twenty-second O site, O is bonded in a single-bond geometry to one N atom.