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Materials Data on BaBe13 by Materials Project

BaBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Ba is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms. All Ba–Be bond lengths are 3.15 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded to two equivalent Ba and ten Be atoms to form a mixture of edge, corner, and face-sharing BeBa2Be10 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.41 Å. In the second Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra.

36 MATERIALS SCIENCE↗