López, AndrésFrost, Ray LeslieXi, YunfeiCipriano, Ricardo Augusto ScholzBelotti, Fernanda MariaRibeiro, Érika2014-12-142014-12-142013LÓPEZ, A. et al. Assessment of the molecular structure of natrodufrénite – NaFe^2+Fe^3+(PO4)4(OH)6.2(H2O), a secondary pegmatite phosphate mineral from Minas Gerais, Brazil. Journal of Molecular Structure, v. 1051, p. 265-270, 2013. Disponível em: <http://www.sciencedirect.com/science/article/pii/S0022286013006947>. Acesso em: 07 out. 2014.0022-2860http://www.repositorio.ufop.br/handle/123456789/4165The mineral natrodufrénite a secondary pegmatite phosphate mineral from Minas Gerais, Brazil, has been studied by a combination of scanning electron microscopy and vibrational spectroscopic techniques. Electron probe analysis shows the formula of the studied mineral as(Na0.88Ca0.12)P1.00(Fe2þ0:72Mn0.11Mg0.08Ca0.04Zr0.01Cu0.01)P0.97 (Fe3þ4:89Al0.02)P4.91(PO4)3.96(OH6.15F0.07)6.22.2.05(H2O). Raman spectroscopy identifies an intense peak at 1003 cm^-1 assigned to the PO4^-3 m1 symmetric stretching mode. Raman bands are observed at 1059 and 1118 cm^-1 and are attributed to the PO4^-3 m3 antisymmetric stretching vibrations. A comparison is made with the spectral data of other hydrate hydroxy phosphateminerals including cyrilovite andwardite. Raman bands at560, 582,619 and 668 cm^-1 are assigned tothe m4PO3 4 bendingmodes and Ramanbands at425,444, 477 and 507 cm^-1 are due to the m2PO3 4 bendingmodes. Raman bands inthe 2600–3800 cm^-1 spectral range are attributed towater and OH stretching vibrations. Vibrational spectroscopy enables aspects of themolecular structure of natrodufrénite to be assessed..en-USNatrodufrénitePhosphatePegmatiteInfrared spectroscopyRaman spectroscopyArtigo publicado em periodicoO periódico Journal of Molecular Structure concede permissão para depósito deste artigo no Repositório Institucional da UFOP. Número da licença: 3487241294767.https://doi.org/10.1016/j.molstruc.2013.08.018