Vibrational spectroscopy of the borate mineral gaudefroyite Ca4MN3+3-x (BO3)3(CO3) (O, OH). from N'Chwaning II mine, Kalahari, Republic of South Africa

Ray L Frost; Ricardo Scholz; Andrés Lópes; Yunfei Xi; Zeljka Žigovečki Gobac; Cristiano de Carvalho Lana

doi:10.1016/j.saa.2013.10.031

Vibrational spectroscopy of the borate mineral gaudefroyite Ca4MN3+3-x (BO3)3(CO3) (O, OH). from N'Chwaning II mine, Kalahari, Republic of South Africa

Spectrochim Acta A Mol Biomol Spectrosc. 2014:120:265-9. doi: 10.1016/j.saa.2013.10.031. Epub 2013 Oct 18.

Authors

Ray L Frost¹, Ricardo Scholz², Andrés Lópes³, Yunfei Xi³, Zeljka Žigovečki Gobac⁴, Cristiano de Carvalho Lana²

Affiliations

¹ School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia. Electronic address: r.frost@qut.edu.au.
² Geology Department, School of Mines, Federal University of Ouro Preto, Campus Morro do Cruzeiro, Ouro Preto, MG 35400-00, Brazil.
³ School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology, GPO Box 2434, Brisbane, Queensland 4001, Australia.
⁴ Institute of Mineralogy and Petrography, Department of Geology, Faculty of Science, University of Zagreb, Horvatovac 95, 10000 Zagreb, Croatia.

PMID: 24184629
DOI: 10.1016/j.saa.2013.10.031

Abstract

Gaudefroyite Ca4MN3+3-x (BO3)3(CO3) (O, OH)3 is an unusual mineral containing both borate and carbonate groups and is found in the oxidation zones of manganese minerals, and it is black in color. Vibrational spectroscopy has been used to explore the molecular structure of gaudefroyite. Gaudefroyite crystals are short dipyramidal or prismatic with prominent pyramidal terminations, to 5 cm. Two very sharp Raman bands at 927 and 1076 cm(-1) are assigned to trigonal borate and carbonate respectively. Broad Raman bands at 1194, 1219 and 1281 cm(-1) are attributed to BOH in-plane bending modes. Raman bands at 649 and 670 cm(-1) are assigned to the bending modes of trigonal and tetrahedral boron. Infrared spectroscopy supports these band assignments. Raman bands in the OH stretching region are of a low intensity. The combination of Raman and infrared spectroscopy enables the assessment of the molecular structure of gaudefroyite to be made.

Keywords: Borate; Gaudefroyite; Infrared spectroscopy; N’Chwaning II mine; Raman spectroscopy.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Borates / chemistry*
Carbonates / chemistry*
Minerals / chemistry*
South Africa
Spectrophotometry, Infrared
Spectrum Analysis, Raman

Substances

Borates
Carbonates
Minerals