Materials Data on Y(BrO6)3 by Materials Project

Abstract

YO11Br2(O2)2BrO3 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two hypobromous acid;dihydrate molecules; four oxygen molecules; and one YO11Br2 ribbon oriented in the (0, 1, 0) direction. In the YO11Br2 ribbon, Y is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Y–O bond distances ranging from 2.11–2.61 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the second O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the third O site, O is bonded in an L-shaped geometry to one Y and one O atom. The O–O bond length is 1.30 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Y and one O atom. The O–O bond length is 1.33 Å. In the fifth O site, O is bonded in a water-like geometry to one Y and one O atom. The O–O bond length is 1.33 Å. In the sixth O site, O is bonded in a 2-coordinate geometry to one Y and one O atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Y and one Br atom. The O–Br bond length is 1.80 Å. In the ninth O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. In the tenth O site, O is bonded in a bent 150 degrees geometry to one Y and one Br atom. The O–Br bond length is 1.80 Å. In the eleventh O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.65 Å. There are two inequivalent Br sites. In the first Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms. In the second Br site, Br is bonded in a trigonal non-coplanar geometry to three O atoms.