Materials Data on Na2Te(BrO)6 by Materials Project

Abstract

(NaBrO3)2Te(Br)4 crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of eight hydrobromic acid molecules; two tellurium molecules; and two NaBrO3 ribbons oriented in the (0, 0, 1) direction. In each NaBrO3 ribbon, there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted bent 150 degrees geometry to four O2- atoms. There are two shorter (2.29 Å) and two longer (3.01 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (2.30 Å) and two longer (2.86 Å) Na–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one O2- atom. The O–O bond length is 1.24 Å. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one O2- atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Na1+ and one Br1+ atom. The O–Br bond length is 1.79 Å. Br1+ is bonded in a single-bond geometry to one O2- atom.