000226085 001__ 226085
000226085 005__ 20180128062908.0
000226085 0247_ $$2doi$$a10.1107/S2052252517000264
000226085 02470 $$2ISI$$a000399015300010
000226085 037__ $$aARTICLE
000226085 245__ $$aIncommensurate atomic density waves in the high-pressure IVb phase of barium
000226085 269__ $$a2017
000226085 260__ $$aChester$$bInt Union Crystallography$$c2017
000226085 300__ $$a6
000226085 336__ $$aJournal Articles
000226085 520__ $$aThe host–guest structures of elements at high pressure discovered a decade ago still leave many open questions due to the lack of precise models based on full exploitation of the diffraction data. This concerns in particular Ba IV, which is stable in the range 12–45 GPa. With the example of phase Ba IVb, which is characterized here for the first time, a systematic analysis is presented of possible host–guest structure models based on high-quality single-crystal diffraction data obtained with synchrotron radiation at six different pressures between 16.5 and 19.6 GPa. It is shown that a new incommensurately modulated (IM) structure model better fits the experimental data. Unlike the composite models which are commonly reported for the Ba IV phases, the IM model reveals a density wave and its pressure-dependent evolution. The crucial role played by the selected model in the interpretation of structure evolution under pressure is discussed. The findings give a new experimental basis for a better understanding of the nature of host–guest structures.
000226085 6531_ $$ahigh-pressure barium phases
000226085 6531_ $$aincommensurately modulated structures
000226085 6531_ $$aBa IVb
000226085 6531_ $$aatomic density waves
000226085 6531_ $$ahost–guest structures
000226085 700__ $$0240417$$aArakcheeva, Alla$$g162794
000226085 700__ $$aBykov, Maxim
000226085 700__ $$aBykova, Elena
000226085 700__ $$aDubrovinsky, Leonid
000226085 700__ $$aPattison, Phil
000226085 700__ $$aDmitriev, Vladimir
000226085 700__ $$0240623$$aChapuis, Gervais$$g122829
000226085 773__ $$j4$$k2$$q152-157$$tIUCr Journal
000226085 8564_ $$iINTERNAL$$uhttps://infoscience.epfl.ch/record/226085/files/reprint_BaIVb$$xPUBLIC$$zPostprint
000226085 909C0 $$0252038$$pLCR
000226085 909CO $$ooai:infoscience.tind.io:226085$$particle$$pSB
000226085 917Z8 $$x122829
000226085 917Z8 $$x148230
000226085 937__ $$aEPFL-ARTICLE-226085
000226085 973__ $$aEPFL$$rREVIEWED$$sPUBLISHED
000226085 980__ $$aARTICLE