Vibrational spectroscopy of the borate mineral priceite : implications for the molecular structure

Frost, Ray L., López, Andrés, Scholz, Ricardo, & Xi, Yunfei (2015) Vibrational spectroscopy of the borate mineral priceite : implications for the molecular structure. Spectroscopy Letters, 48(2), pp. 101-106.

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Priceite is a calcium borate mineral and occurs as white crystals in the monoclinic pyramidal crystal system. We have used a combination of Raman spectroscopy with complimentary infrared spectroscopy and scanning electron microscopy with Energy-dispersive X-ray Spectroscopy (EDS) to study the mineral priceite. Chemical analysis shows a pure phase consisting of B and Ca only. Raman bands at 956, 974, 991, and 1019 cm−1 are assigned to the BO stretching vibration of the B10O19 units. Raman bands at 1071, 1100, 1127, 1169, and 1211 cm−1 are attributed to the BOH in-plane bending modes. The intense infrared band at 805 cm−1 is assigned to the trigonal borate stretching modes. The Raman band at 674 cm−1 together with bands at 689, 697, 736, and 602 cm−1 are assigned to the trigonal and tetrahedral borate bending modes. Raman spectroscopy in the hydroxyl stretching region shows a series of bands with intense Raman band at 3555 cm−1 with a distinct shoulder at 3568 cm−1. Other bands in this spectral region are found at 3221, 3385, 3404, 3496, and 3510 cm−1. All of these bands are assigned to water stretching vibrations. The observation of multiple bands supports the concept of water being in different molecular environments in the structure of priceite. The molecular structure of a natural priceite has been assessed using vibrational spectroscopy.

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ID Code: 77769
Item Type: Journal Article
Refereed: Yes
Keywords: borate, evaporate, ferroelectric properties, infrared, priceite, Raman spectroscopy
DOI: 10.1080/00387010.2013.856328
ISSN: 1532-2289
Subjects: Australian and New Zealand Standard Research Classification > CHEMICAL SCIENCE (030000) > PHYSICAL CHEMISTRY (INCL. STRUCTURAL) (030600) > Structural Chemistry and Spectroscopy (030606)
Divisions: Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2015 Taylor & Francis Group, LLC
Deposited On: 16 Oct 2014 22:47
Last Modified: 01 Jul 2017 09:09

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