How to convert a tetragonal WO3 into hexagonal WO3 on CASTEP?

02 February 2022 1 8K Report

I am struggling to find a correct rotational matrix to convert tetragonal WO3 (alpha=beta=gamma=90 deg) into a hexagonal lattice (alpha=beta=90 and gamma=60/120 deg). I am using VESTA and CASTEP.

Khabib Khumaini

I just tested using VESTA

Edit --> Edit Data --> Unit Cell

Then in System, choose the hexagonal and apply. It will transform tetragonal WO3 to hexagonal WO3

I hope it answers your question

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