% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Alderman:148574,
      author       = {Alderman, O. L. G. and Hannon, A. C. and Holland, D. and
                      Feller, S. and Lehr, G. and Vitale, A. J. and Hoppe, U. and
                      Zimmermann, M. V. and Watenphul, A. and DESY},
      title        = {{L}one-{P}air {D}istribution and {P}lumbite {N}etwork
                      {F}ormation in {H}igh {L}ead {S}ilicate {G}lass,
                      $80{P}b_{{O}.20}{S}i{O}_2$},
      journal      = {Physical Chemistry Chemical Physics},
      volume       = {15},
      issn         = {1463-9076},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {PHPPUBDB-26509},
      pages        = {8506-8519},
      year         = {2013},
      note         = {(c) the Owner Societies},
      abstract     = {For the first time a detailed structural model has been
                      determined which shows how the lone-pairs of electrons are
                      arranged relative to each other in a glass network
                      containing lone-pair cations. High energy X-ray and neutron
                      diffraction patterns of a very high lead content silicate
                      glass (80PbO·20SiO2) have been used to build
                      three-dimensional models using empirical potential structure
                      refinement. Coordination number and bond angle distributions
                      reveal structural similarity to crystalline Pb11Si3O17 and
                      α- and β-PbO, and therefore strong evidence for a plumbite
                      glass network built from pyramidal [PbOm] polyhedra (m∼
                      3-4), with stereochemically active lone-pairs, although with
                      greater disorder in the first coordination shell of lead
                      compared to the first coordination shell of silicon. The
                      oxygen atoms are coordinated predominantly to four cations.
                      Explicit introduction of lone-pair entities into some models
                      leads to modification of the local Pb environment, whilst
                      still allowing for reproduction of the measured diffraction
                      patterns, thus demonstrating the non-uniqueness of the
                      solutions. Nonetheless, the models share many features with
                      crystalline Pb11Si3O17, including the O-Pb-O bond angle
                      distribution, which is more highly structured than reported
                      for lower Pb content glasses using reverse Monte Carlo
                      techniques. The lone-pair separation of 2.85 Å in the model
                      glasses compares favourably with that estimated in α-PbO as
                      2.88 Å, and these lone-pairs organise to create voids in
                      the glass, just as they create channels in Pb11Si3O17 and
                      interlayer spaces in the PbO polymorphs.},
      cin          = {FS-DO / DOOR},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-DO-20120731 / I:(DE-H253)HAS-User-20120731},
      pnm          = {DORIS Beamline BW5 (POF1-550)},
      pid          = {G:(DE-H253)POF1-BW5-20130405},
      experiment   = {EXP:(DE-H253)D-BW5-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:23657606},
      UT           = {WOS:000319006100008},
      doi          = {10.1039/c3cp51348c},
      url          = {https://bib-pubdb1.desy.de/record/148574},
}