Diammonium sodium hexafluoroaluminate, (NH4)2NaAlF6

Following on the heels of the remarkable lead halide perovskite optoelectronic materials, interest in lead-free halide perovskites has grown rapidly in the past decade. Double perovskite halides with the general formula A 2 M I M III X 6 (where A is a large monovalent cation in the perovskite A site, M I is a univalent metal, M III is a trivalent metal, and X = halide) represent one of the promising classes of such materials and, of these, the iodides are particularly interesting since their band gaps are expected to be similar to those found in the iconic lead-containing phases, APbI 3 . However, the successful synthesis of A 2 M I M III I 6 iodides appears to have been elusive. In this work, we examine the likelihood that double perovskite halides will form, using a combination of the Goldschmidt tolerance factor and the radius ratio of the trivalent metals, M III , and rationalize the rarity of double perovskite iodides in terms of these descriptors. Using this model as the formability criterion, we predict the possible existence of more than 300 hitherto unknown double perovskite iodides with organic and inorganic cations in the A site. AUTHOR INFORMATION

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Novel scintillators with neutron/gamma discrimination, Cs(NH<inf>4</inf>)MYX<inf>6</inf>:Ce3+ (M = Li, Na; X = F, Cl)

Loef

Wilson

Moses

et al. 2008

2008 IEEE Nuclear Science Symposium Conference Record

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Diammonium sodium hexafluoroaluminate, (NH₄)₂NaAlF₆

Abstract: Key indicatorsSingle-crystal X-ray study T = 295 K Mean (l-F) = 0.002 Å R factor = 0.020 wR factor = 0.052 Data-to-parameter ratio = 8.0For details of how these key indicators were automatically derived from the article, see

Cited by 3 publications

References 3 publications

Syntheses and characterization of elpasolite-type ammonium alkali metal hexafluorometallates(III)

Syntheses and characterization of elpasolite-type ammonium alkali metal hexafluorometallates(III)

Why are Double Perovskite Iodides so Rare?

Novel scintillators with neutron/gamma discrimination, Cs(NH<inf>4</inf>)MYX<inf>6</inf>:Ce<sup>3+</sup> (M = Li, Na; X = F, Cl)

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