Dear All,
I am presently refining a structure of a REE-Na
silicate. The data were collected in capillary geometry, CuKa1 radiation, long
(50secs) counting times and a step of 0.02, up to 100° 2theta. After some
refinement cycles, I get reasonable positional and displacement parameters for
all the atoms, except for the oxygens of the SiO4 groups, which display negative
Ueq parameters. An unique Ueq parm was refined for these oxygens, and the Si
tetrahedra display good Si-O distances.
Any suggestion? Best
regards Natale Perchiazzi
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- Re: negative oxygen thermal parms Natale Perchiazzi
- Re: negative oxygen thermal parms Jacco van de Streek
- Re: negative oxygen thermal parms Angus P. Wilkinson