Refining perovskite structures to pair distribution function data using collective glazer modes as a basis

HIGHLIGHTS

• who: Sandra Helen, Skju00e6rv and Simon J., L. Billingea from the Department of Applied Physics and Applied Mathematics, Columbia University, New York, NY, USA have published the Article: Refining perovskite structures to pair distribution function data using collective Glazer modes as a basis, in the Journal: IUCrJ (2022). 705-712 of /2022/
• what: The authors explore a more direct approach to modeling collective rotations using algebraic expressions that link displacements of atoms in the Glazer tilt systems. The authors demonstrate the use of the code on the compound CaTiO3, the archetypal perovskite with a wellknown . . .
  

   

  

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