Materials Data on Cd(BrO4)2 by Materials Project

Abstract

Cd(O4Br)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two Cd(O4Br)2 ribbons oriented in the (0, 1, 0) direction. Cd is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Cd–O bond distances ranging from 2.32–2.76 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.70 Å. In the second O site, O is bonded in a single-bond geometry to one Cd atom. In the third O site, O is bonded in a single-bond geometry to one Cd atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one Br atom. The O–Br bond length is 1.69 Å. In the fifth O site, O is bonded in a water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.70 Å. In the sixth O site, O is bonded in a distorted water-like geometry to one Cd and one Br atom. The O–Br bond length is 1.68 Å. In the seventh O site, O is bonded in a single-bond geometry to one Br atom. The O–Br bond length is 1.67 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Cd and one Br atom. The O–Br bond length is 1.72 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.