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Figure 3
The crystal structures of (a) the early experimentally proposed tI12-W2B phase and (b) the tI12′-W2B phase found by USPEX. Blue and pink spheres represent W and B atoms, respectively. At first glance, there is almost no difference between the phases. Their difference lies only in the slight difference in the position of boron, as discussed by Li et al. (2013BB73).

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 70| Part 2| January 2014| Pages 85-103
doi:10.1107/S2053229613027551
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