Dataset on the crystallographic, vibrational, and electronic properties of 1M-phlogopite K(Mg,Fe)3(Si3Al)O10(OH)2 obtained from Density Functional Theory investigations

Dataset on the crystallographic, vibrational, and electronic properties of 1M-phlogopite K(Mg,Fe)3(Si3Al)O10(OH)2 obtained from Density Functional Theory investigations

The present work reports a dataset on the crystal structure, optical properties (complex dielectric function and refractive index), infrared, reflectance and Raman spectra, and electronic properties (band structure and density of states) of the 1M-polytype of phlogopite [1]. This phyllosilicate pres...

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Bibliographic Details
Main Authors: Gianfranco Ulian, Giovanni Valdrè
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Data in Brief
Subjects:
Phlogopite
Crystal structure
IR and Raman spectroscopy
Electronic band structure
Density of states
Reflectance spectroscopy
Online Access:http://www.sciencedirect.com/science/article/pii/S2352340923008016

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http://www.sciencedirect.com/science/article/pii/S2352340923008016

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