Structure and stability of solid Xe(H2)n

Somayazulu, Maddury; Dera, Przemyslaw; Smith, Jesse; Hemley, Russell J.

doi:10.1063/1.4908265

Title: Structure and stability of solid Xe(H₂)_n

Journal Article · Tue Mar 10 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4908265· OSTI ID:1335840

Somayazulu, Maddury ^[1]; Dera, Przemyslaw ^[2]; Smith, Jesse ^[3]; Hemley, Russell J. ^[1]

Carnegie Institution of Washington, Washington, D.C. (United States)
Univ. of Chicago, Argonne, IL (United States)
Carnegie Institution of Washington, Argonne, IL (United States)

Mixtures of xenon and molecular hydrogen form a series of hexagonal, van der Waals compounds at high pressures and at 300 K. Synchrotron, x-ray, single crystal diffraction studies reveal that below 7.5 GPa, Xe(H₂)₈ crystallizes in a P3¯m1 structure that displays pressure-induced occupancy changes of two pairs of xenon atoms located on the 2c and 2d sites (while the third pair on yet another 2c site remains fully occupied). The occupancy becomes 1 at the P3¯m1 to R3 transition and all the xenon atoms occupy the 3d sites in the high-pressure structure. These pressure-induced changes in occupancy coincide with volume changes that maintain the average Xe:H₂ stoichiometry fixed at 1:8. Furthermore, the synchrotron x-ray diffraction and Raman measurements show that this unique hydrogen-bearing compound that can be synthesized at 4.2 GPa and 300 K, quenched at low temperatures to atmospheric pressure, and retained up to 90 K on subsequent warming.

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Research Organization:: Carnegie Institution of Washington, Washington, D.C. (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0002006; AC02-06CH11357; FG02-06ER46280; FG02-99ER45775; NA-0002006; NA0001974

OSTI ID:: 1335840

Alternate ID(s):: OSTI ID: 1228238

Journal Information:: Journal of Chemical Physics, Vol. 142, Issue 10; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 17 works

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