Assessment of the molecular structure of an intermediate member of the triplite-zwieselite mineral series: A raman and infrared study

Frost, Ray, Xi, Yunfei, Lopez Toro, Andres, Moreira, Viviane, Scholz, Ricardo, Fernandes Lima, Rosa Malena, & Gandini, Antonio Luciano (2014) Assessment of the molecular structure of an intermediate member of the triplite-zwieselite mineral series: A raman and infrared study. Spectroscopy Letters, 47(3), pp. 214-222.

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The mineral series triplite-zwieselite with theoretical formula (Mn2+)2(PO4)(F)-(Fe2+)2(PO4)(F) from the El Criolo granitic pegmatite, located in the Eastern Pampean Ranges of Córdoba Province, was studied using electron microprobe, thermogravimetry, and Raman and infrared spectroscopy. The analysis of the mineral provided a formula of (Fe1.00, Mn0.85, Ca0.08, Mg0.06)∑2.00(PO4)1.00(F0.80, OH0.20)∑1.00. An intense Raman band at 981 cm−1 with a shoulder at 977 cm−1 is assigned to the ν1 symmetric stretching mode. The observation of two bands for the phosphate symmetric stretching mode offers support for the concept that the phosphate units in the structure of triplite-zwieselite are not equivalent. Low-intensity Raman bands at 1012, 1036, 1071, 1087, and 1127 cm−1 are assigned to the ν3 antisymmetric stretching modes. A set of Raman bands at 572, 604, 639, and 684 cm−1 are attributed to the ν4 out-of-plane bending modes. A single intense Raman band is found at 3508 cm−1 and is assigned to the stretching vibration of hydroxyl units. Infrared bands are observed at 3018, 3125, and 3358 cm−1 and are attributed to water stretching vibrations.

Supplemental materials are available for this article. Go to the publisher's online edition of Spectroscopy Letters to view the supplemental file.

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ID Code: 80455
Item Type: Journal Article
Refereed: Yes
Keywords: infrared spectroscopy, phosphate, Raman spectroscopy, triplite, triploidite, zwieselite
DOI: 10.1080/00387010.2013.790316
ISSN: 0038-7010
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > ANALYTICAL CHEMISTRY (030100)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Deposited On: 21 Jan 2015 22:48
Last Modified: 30 Mar 2015 02:24

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