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Does BaTbO 3 Adopt the P 1 Symmetry?
Author(s) -
Fu Wen Tian,
IJdo D. J. W.
Publication year - 2018
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201800924
Subject(s) - triclinic crystal system , chemistry , crystallography , symmetry (geometry) , crystal structure , rietveld refinement , atmospheric temperature range , perovskite (structure) , phase (matter) , diffraction , x ray crystallography , thermodynamics , physics , geometry , organic chemistry , optics , mathematics
A detailed profile analysis of X‐ray diffraction data in the temperature range between 100 K and 723 K was carried out to settle a recent dispute on the symmetry and crystal structures of the perovskite BaTbO 3 . Through careful comparison of the Rietveld refinements, we found that there is no evidence to suggest a triclinic ( P 1) structure for BaTbO 3 . The correct space groups with decreasing temperature are I 4/ mcm and Imma , respectively. At around room temperature both structures co‐exist. The phase sequence of “ Pm 3 m ” → I 4/ mcm → Imma is just the one expected to occur in A (II) B (IV)O 3 ‐type perovskites.