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Does someone know where I can find lattice parameters and basis vectors of crystal lattice structures (Strukturbericht Designation) for different materials?

In particular I am searching the lattice parameters and the atomic basis of the Strukturbericht Designation B1, B2, B16, B27, and B33 of PbSe (lead selenide).

I already found this page, https://homepage.univie.ac.at/michael.leitner/lattice/struk/btype.html, however, there the lattice parameters and the atomic basis is only given for a prototype of a structure.

Isn't there a general reference?

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  • $\begingroup$ I see three PbSe entries in Crystallography Open Database, but all in the same spacegroup: 1537678, 9011359, 9011360. I could overlook something, I'm not really familiar with COD. $\endgroup$ – marcin Apr 19 '16 at 8:34
  • $\begingroup$ And Googling 'crystal structure PbSe' pulls up various suggestions of papers. A good science database search yields many others. One to start with would be S V Streltsov1, A Yu Manakov2, A P Vokhmyanin1, S V Ovsyannikov1 and V V Shchennikov1 Published 24 August 2009 • IOP Publishing Ltd Journal of Physics: Condensed Matter, Volume 21, Number 38 and references therein. $\endgroup$ – Jon Custer Apr 19 '16 at 13:38
  • $\begingroup$ Thank you very much. I also tried it this way but in most of the papers they only write the lattice parameters but not the atom positions. That was a bit frustrating so I thought there must be another data base where the people get the positions from... $\endgroup$ – thyme Apr 19 '16 at 14:13
  • $\begingroup$ The cif files in COD have positions, in this case Pb 0 0 0 and Se 0.5 0.5 0.5. Equivalent positions are not listed; they are implied by the space group. If you open such a CIF file in a viewer that understands this format you will see all atoms. $\endgroup$ – marcin Apr 20 '16 at 10:29

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