Materials Data on Ba3YI9 by Materials Project

Kristin Persson
Ba3YI9 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to seven I1- atoms to form distorted BaI7 pentagonal bipyramids that share corners with two equivalent YI7 pentagonal bipyramids and an edgeedge with one BaI7 pentagonal bipyramid. There are a spread of Ba–I bond distances ranging from 3.45–3.62 Å. In the second Ba2+ site, Ba2+ is bonded in a...
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