Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 141, Issue 45, Pages 17978-17982Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jacs.9b09358
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Funding
- Diamond Light Source (Ill Beamline)
- E.R.C. [788144]
- European Research Council (ERC) [788144] Funding Source: European Research Council (ERC)
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We report the synthesis and structural characterization of the ABX3 perovskite frameworks [C(NH2)(3)]Mn-1-x(2+)(Fe-2x/3(3+),square(x/3))(HCOO)(3) (square = B-site vacancy). For large x, the vacancies order, lowering the crystal symmetry. This system establishes B-site vacancies as a new type of defect in formate perovskites, with important chemical, structural, and functional implications. Monte Carlo simulations driven by nearest-neighbor vacancy repulsions show checkerboard vacancy order to emerge for x > 0.6, in accord with experiment.
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