Materials Data on Ho6N8O33 by Materials Project

Abstract

Ho6N4O21(NO3)4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of four nitric acid molecules and one Ho6N4O21 ribbon oriented in the (1, 0, 0) direction. In the Ho6N4O21 ribbon, there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to three O atoms. There are a spread of Ho–O bond distances ranging from 1.90–2.37 Å. In the second Ho site, Ho is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Ho–O bond distances ranging from 1.88–2.34 Å. In the third Ho site, Ho is bonded in a distorted single-bond geometry to three O atoms. There are a spread of Ho–O bond distances ranging from 1.63–2.64 Å. There are two inequivalent N sites. In the first 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 1.18–1.43 Å. In the second N site, N is bonded in a distorted trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.28–1.80 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ho and one N atom. In the second O site, O is bonded in a distorted linear geometry to two equivalent Ho atoms. In the third O site, O is bonded in a water-like geometry to one Ho and one N atom. In the fourth O site, O is bonded in a 1-coordinate geometry to one Ho atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Ho and one N atom. In the sixth O site, O is bonded in a single-bond geometry to one N atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to two Ho atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two Ho atoms. In the ninth O site, O is bonded in a single-bond geometry to one N atom. 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 a distorted single-bond geometry to one Ho atom.