Researchers re-establish the structure of magnesium borohydride

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Dec. 13, 2012 — An international team led by Xiang-Feng Zhou and Artem R. Oganov, PhD, theoretical crystallographers in the Department of Geosciences and Department of Physics and Astronomy at Stony Brook University, has established the structure of one of the most important high-energy-density materials, magnesium borohydride or Mg(BH[SUB]4[/SUB])[SUB]2[/SUB].

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Their findings, "First-Principles Determination of the Structure of Magnesium Borohydride," have been published in the Dec. 13 edition of Physical Review Letters.

"Experimental crystal structure determination is often viewed as a routine task with a guaranteed correct result, but we successfully challenged the 'experimental' structure of
 
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