Journal
HIGH PRESSURE RESEARCH
Volume 32, Issue 3, Pages 442-449Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/08957959.2012.722214
Keywords
bismuth; crystal structure; high-pressure; high temperature; X-ray diffraction
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Funding
- UK Engineering and Physical Sciences Research Council
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Bi-IV is the stable high-pressure, high-temperature phase of bismuth at similar to 4 GPa and similar to 500 K. It was first identified in 1958, but its structure has remained uncertain. An X-ray powder-diffraction study of Bi-IV reported the structure as monoclinic, but a subsequent reinterpretation of the same data concluded that the structure was C-centred orthorhombic (oC16), with the same atomic arrangement as in Cs-V and Si-VI. To resolve the uncertainty over the structure of Bi-IV, we investigated this phase at 3.2 GPa and 465 K by single-crystal synchrotron X-ray diffraction. All of the observed reflections could be indexed on the orthorhombic oC16 structure proposed by Degtyareva, with a = 11.191(5)angstrom, b = 6.622(1)angstrom and c = 6.608(1)angstrom. The spacegroup was confirmed as Cmce. Refinement of the data resulted in an excellent fit (R = 2.8%), and gave atomic coordinates very similar to those of the oC16 structures in Cs-V and Si-VI.
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