Crystal structure of new formamidinium triiodide jointly refined by single-crystal XRD, Raman scattering spectroscopy and DFT assessment of hydrogen-bond network features

Ordinartsev, A.A.; Petrov, A.A.; Lyssenko, K.A.; Petrov, A.V.; Goodilin, E.A.; Tarasov, A.B.

doi:10.1107/S2056989021005673

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 3
Representation of FAI₃ as a deformed cubic close-packed crystal structure with both iodine and formamidinium units in the close-packing layer. Purple and violet atoms represent positions of iodine from the first and second types of I₃⁻, respectively. Formamidinium cations are decreased in size for clarity. (a) A single close-packed layer and (b) representation of FAI₃ as a deformed three-layered close-packed structure (the different types of alternating close-packed layers are shown in red, orange and blue).

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 77| Part 7| July 2021| Pages 692-695

https://doi.org/10.1107/S2056989021005673

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