title: The molecular structure of chloritoid: a mid-infrared and near-infrared spectroscopic study.
abstract: The mineral chloritoid collected from the argillite in the bottom of Yaopo Formation of Western Beijing was characterized by mid-infrared (MIR) and near-infrared (NIR) spectroscopy. The MIR spectra showed all fundamental vibrations including the hydroxyl units, basic aluminosilicate framework and the influence of iron on the chloritoid structure. The NIR spectrum of the chloritoid showed combination (ν+δ)OH bands with the fundamental stretching (ν) and bending (δ) vibrations. Based on the chemical component data and the analysis result from the MIR and NIR spectra, the crystal structure of chloritoid from western hills of Beijing, China, can be illustrated. Therefore, the application of the technique across the entire infrared region is expected to become more routine and extend its usefulness, and the reproducibility of measurement and richness of qualitative information should be simultaneously considered for proper selection of a spectroscopic method for the unit cell structural analysis.
authors.affiliation: School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083, PR China; State Key Laboratory of Coal Resources and Safe Mining, China University of Mining & Technology, Beijing 100083, PR China.
authors.forename: Kuo
authors.initials: K
authors.lastname: Li
authors.affiliation: School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083, PR China. Electronic address: lqf@cumtb.edu.cn.
authors.forename: Qinfu
authors.initials: Q
authors.lastname: Liu
authors.affiliation: School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083, PR China; State Key Laboratory of Coal Resources and Safe Mining, China University of Mining & Technology, Beijing 100083, PR China; School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology, 2 George Street, GPO Box 2434, Brisbane, Queensland 4001, Australia.
authors.forename: Hongfei
authors.initials: H
authors.lastname: Cheng
authors.affiliation: China Coal Geology Engineering Corporation, 100073 Beijing, PR China.
authors.forename: Yutao
authors.initials: Y
authors.lastname: Deng
authors.affiliation: School of Chemistry, Physics and Mechanical Engineering, Science and Engineering Faculty, Queensland University of Technology, 2 George Street, GPO Box 2434, Brisbane, Queensland 4001, Australia. Electronic address: r.frost@cumtb.edu.cn.
authors.forename: Ray L
authors.initials: RL
authors.lastname: Frost
mesh_terms: D000538:Aluminum Silicates / Q000737:chemistry*; D004577:Electron Probe Microanalysis; D008903:Minerals / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D019265:Spectroscopy, Near-Infrared
chemical_list: D000538:Aluminum Silicates; D008903:Minerals
keywords: Chloritoid; Infrared spectroscopy; Molecular structure