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DOE OSTI · 1205513

Materials Data on BaCd11 by Materials Project

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Abstract

BaCd11 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eighteen Cd atoms. There are a spread of Ba–Cd bond distances ranging from 3.76–3.95 Å. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.01–3.22 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Ba and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.96–3.46 Å. In the third Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ba and twelve Cd atoms.

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36 MATERIALS SCIENCEBa-CdBaCd11crystal structure

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2020-07-23. Materials Data on BaCd11 by Materials Project. https://doi.org/10.17188/1205513

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