Abstract
The crystal structure of magnesium boron nitride in a high-pressure phase, Mg 3 NB 3 (H), has been determined from X-ray powder diffraction data. The strategy used was: powder pattern indexing, extraction of integrated intensity data by peak decomposition, Patterson function calculation, trial-and-error model building and Rietveld refinement. The cell is orthorhombic (space group Pmmm, Z=1) with a=3.0933 (2), b=3.1336 (2) and c=7.7005 (5) A. The structure contains linear NBN groups with an observed B-N interatomic distance of 1.34 A which is 2% shorter than in the low-pressure form of the material, Mg 3 BN 3 (L)
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