Structure determination of LISICON solid solutions by powder neutron diffraction

I. Abrahams, P. G. Bruce, A. R. West, W. I F David

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26 Citations (Scopus)


The structures of Li3Zn0.5GeO4 and Li3.5Zn0.25GeO4 have been determined by powder neutron diffraction studies at room temperature. Both compounds are members (x = 0.5, x = 0.75) of the LISICON solid solution series Li(2+2x)Zn(1-x)GeO4 where -0.36 = x = 0.87. The structures, which are essentially similar, have been solved in the orthorhombic space group Pnma (No. 62) with cell dimensions a = 10.8720(5), b = 6.2882(3), and c = 5.1696(2) Å for Li3Zn0.5GeO4 and a = 10.8845(7), b = 6.2683(4), and c = 5.1551(2) Å for Li3.5Zn0.25GeO4; Z = 4. The basic structure of both compounds consists of an oxide ion array that is intermediate between hexagonal close packing and tetragonal packing, with Ge, Zn, and Li located in tetrahedral sites between the oxide ions. Additional Li is located in octahedral interstices which share faces with adjacent tetrahedral sites: Li ions in these tetrahedral sites are repelled through their faces to more distant tetrahedral sites. © 1988.

Original languageEnglish
Pages (from-to)390-396
Number of pages7
JournalJournal of Solid State Chemistry
Issue number2
Publication statusPublished - Aug 1988


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