Materials Data on YH8C2S2NO9 by Materials Project

Abstract

(Y(SO4)2)2(CH3)4(NH2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four ammonia molecules; eight methane molecules; two oxygen molecules; and two Y(SO4)2 ribbons oriented in the (1, 0, 0) direction. In each Y(SO4)2 ribbon, Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.37 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.51 Å. In the second S2- site, S2- is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one S2- atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Y3+ and one S2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one S2- atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Y3+ and one S2- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one S2- atom.