The crystal structure for Ba2TiO explained with symmetries

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SUMMARY

The discussion centers on the crystallization of Barium Titanate (Ba2TiO) and its relationship with symmetry operations. Participants emphasize the importance of translation and reflection symmetries in understanding how Ba2TiO achieves its crystallized structure, specifically the transparent octahedron shape. The conversation highlights the perovskite unit cell configuration, which is face-centered cubic, and how thermal conditions can influence the positioning of the Ti4+ ion within the structure. The need for precise terminology in symmetry operations is also noted as crucial for a comprehensive explanation.

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  • Basic concepts of thermal effects on crystal lattices
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Materials scientists, crystallographers, and students studying solid-state physics who are interested in the crystallization processes and symmetry in materials like Barium Titanate.

Beyar
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Hello!

I would love to get help on this particular question that I find extremely difficult to answer.

-"Bariumtitanate can under a certain set of conditions crystallize in the given structure. With the help of the compounds symmetries, explain how it is possible for it to achieve such a crystallization structure.

No equations are given for the specific problem so I am leaning towards that one has to use translation/reflection symmetries etc. to be able to solve this specific problem.

The given crystallized structure (transparent octahedron shape) can be seen in the picture.
 

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It might help to label the species in the picture and then think about what happens if you try to move the center ion out of its place.
 
I believe that this species has undergone translation from either heat or cooling, which in turn has moved the Ti-ion (center ion) and caused the hexagon-shaped face to appear. Because from the start, the Ba2Tio species has a unit cell of a perovskite, which in turn is ideally face-centered cubic I believe. But I don't know how to translate this into "symmetry words", so to say..
 
Beyar said:
I believe that this species has undergone translation from either heat or cooling,
What do you mean by translation? Do you mean the Ti4+ has moved to the center of an octahedron?

If you start with the cubic crystal structure in the picture you attached, what happens when you move the Ti4+ away from the center?
 

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