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@ARTICLE{Zhang:300184,
      author       = {Zhang, Weiwei and Oganov, Artem R. and Zhu, Qiang and
                      Lobanov, Sergey and Stavrou, Elissaios and Goncharov,
                      Alexander},
      title        = {{S}tability of numerous novel potassium chlorides at high
                      pressure},
      journal      = {Scientific reports},
      volume       = {6},
      issn         = {2045-2322},
      address      = {London},
      publisher    = {Nature Publishing Group},
      reportid     = {PUBDB-2016-02198},
      pages        = {26265},
      year         = {2016},
      abstract     = {K-Cl is a simple system displaying all four main types of
                      bonding, as it contains (i) metallic potassium, (ii)
                      elemental chlorine made of covalently bonded Cl2 molecules
                      held together by van der Waals forces, and (iii) an
                      archetypal ionic compound KCl. The charge balance rule,
                      assigning classical charges of “+1” to K and “−1”
                      to Cl, predicts that no compounds other than KCl are
                      possible. However, our quantum-mechanical
                      variable-composition evolutionary simulations predict an
                      extremely complex phase diagram, with new thermodynamically
                      stable compounds K3Cl, K2Cl, K3Cl2, K4Cl3, K5Cl4, K3Cl5,
                      KCl3 and KCl7. Of particular interest are 2D-metallic
                      homologs Kn+1Cln, the presence of positively charged Cl
                      atoms in KCl7, and the predicted stability of KCl3 already
                      at nearly ambient pressures at zero Kelvin. We have
                      synthesized cubic -KCl3 at 40–70 GPa and trigonal -KCl3 at
                      20–40 GPa in a laser-heated diamond anvil cell (DAC) at
                      temperature exceeding 2000 K from KCl and Cl2. These phases
                      were identified using in situ synchrotron X-ray diffraction
                      and Raman spectroscopy. Upon unloading to 10 GPa, -KCl3
                      transforms to a yet unknown structure before final
                      decomposition to KCl and Cl2 at near-ambient conditions.},
      cin          = {DOOR},
      ddc          = {000},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {6G3 - PETRA III (POF3-622) / CALIPSO - Coordinated Access
                      to Lightsources to Promote Standards and Optimization
                      (312284)},
      pid          = {G:(DE-HGF)POF3-6G3 / G:(EU-Grant)312284},
      experiment   = {EXP:(DE-H253)P-P02.2-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000376233800001},
      pubmed       = {pmid:27211847},
      doi          = {10.1038/srep26265},
      url          = {https://bib-pubdb1.desy.de/record/300184},
}