Table 2 Refined atomic coordinates and displacement parameters for Kr(H2)4 at 11.24 GPa and 298 K
From: New high-pressure van der Waals compound Kr(H2)4 discovered in the krypton-hydrogen binary system
Atom | Wyckoff position | x | y | z | U11 | U22 | U33 | Ueq |
|---|---|---|---|---|---|---|---|---|
Kr | 24e | 0.20325(4) | 0 | 0 | 0.0212(3) | 0.0176(2) | 0.0176(2) | 0.0188(2) |
H1 | 4b | 0.5 | 0 | 0 | ||||
H2 | 32f | 0.384(2) | 0.384(2) | 0.384(2) | ||||
H3 | 24d | 0 | 0.25 | 0.25 | ||||
H4 | 32f | 0.172(2) | 0.172(2) | 0.172(2) |
