Given: lattice constants, crystallite size, XRD pattern of the Y2O3.
if you are interested in short range order, X ray absorption spectroscopy can answer to your questions, above all for Y-O and Y-Y bond distance.
If you are not interested to the short range order, then X ray diffraction can provide what you need.
In literature you can find for Y2O3 yttria cubic bixbyite structure
space group = I a -3
* a = 10.6040 b = 10.6040 c = 10.6040
* alpha = 90.0 beta = 90.0 gamma = 90.0
Y-O = 0.227485nm
Y-Y = 0.352151nm
best regards
Sebastiano Cammelli
Thank you Cammelli, if the lattice constant is different from the one you have given (say, due to doping), i hope Y-O, Y-Y distances will also change accordingly. For example, in my case, a = 10.612 A. What might be the Y-O, Y-Y ? If you could further help me in this regards, please help me.
if you introduce other element, i.e. XXX, in your Y2O3 you have to pay attention to the atomic site occupied by the XXX element. If you want to measure the Y-Y Y-O, Y-XXX and XXX-O distances in your samples I recommend you to perform an EXAFS experiment which is a synchrotron based technique. You will get distances with a precision of 0.002nm. unfortunately I will change my job soon, otherwise I will suggest you to send me the samples... So you shall contact a beamline scientist and to fix a collaboration with some EXAFS expert. best
Dear all, if you have XRD-data of sufficient quality, then you are able to develop a detailed structural model with all the atomic positions in the unit cell. Provided with the knowledge of the space group, the lattice constants and the angles, you may quite easily calculate all the desired distances. There is free software available for that purpose, e.g. powder cell. Good luck, Dirk
- Badges
- Science method
- Similar topics
- Chemistry
- General Biochemistry
- Biochemical Techniques
- Analytical Chemistry