Materials Data on Dy6N8O33 by Materials Project

Abstract

Dy6N8O33 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Dy6N8O33 ribbon oriented in the (1, 0, 0) direction. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.57 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.23–3.18 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Dy–O bond distances ranging from 2.23–2.55 Å. There are four inequivalent N sites. In the first 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 second 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 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. 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 1.23–1.29 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Dy and one N atom. In the third O site, O is bonded in a single-bond geometry to one N atom. In the fourth O site, O is bonded in a single-bond geometry to one N atom. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the seventh O site, O is bonded in an L-shaped geometry to one Dy and one N atom. In the eighth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the ninth O site, O is bonded in a trigonal non-coplanar geometry to three Dy atoms. In the tenth O site, O is bonded in a single-bond geometry to one N atom. In the eleventh O site, O is bonded in an L-shaped geometry to one Dy and one N atom. In the twelfth O site, O is bonded in an octahedral geometry to six Dy atoms. In the thirteenth O site, O is bonded in a single-bond geometry to one Dy and one N atom. In the fourteenth O site, O is bonded in a distorted L-shaped geometry to one Dy and one N atom. In the fifteenth O site, O is bonded in a single-bond geometry to one N atom. In the sixteenth O site, O is bonded in a water-like geometry to one Dy and one N atom. In the seventeenth O site, O is bonded in a distorted water-like geometry to one Dy and one N atom.