Materials Data on Ba6YI15 by Materials Project

Kristin Persson
Ba6YI15 crystallizes in the monoclinic C2/c 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 a faceface with one YI7 pentagonal bipyramid. There are a spread of Ba–I bond distances ranging from 3.43–3.63 Å. In the second Ba2+ site, Ba2+ is bonded in a 7-coordinate geometry to seven I1- atoms. There are...
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