POLARIO, a computer program for calculating refractive indices from chemical compositions
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Reinhard X. Fischer
,
Manfred Burianek
Abstract
POLARIO is a computer program to calculate total electronic polarizabilities, refractive energies, and refractive indices of transparent minerals and synthetic crystalline compounds from their chemical composition and molar volume. If measured refractive indices or observed polarizabilities are entered, POLARIO also allows calculation of the deviation between observed and calculated values and determines the compatibility index as a measure of agreement. The density of the compound is calculated from the chemical composition and the molar volume of a formula unit. Atom parameters can be read in cif format to determine possible coordination numbers of cations and to compose the entire input necessary to do the calculations. It displays a table of interatomic distances and angles, and it shows the chemical composition with superscripted coordination numbers and valencies. The program is written in Delphi XE6 for WINDOWS operating systems and contains 5300 constants and parameters to do the calculations.
Acknowledgments
We thank the Deutsche Forschungsgemeinschaft for financial support under grant FI442/21-2, Thomas Messner for his valuable support in programming tricky routines, and Tony Kampf and Frank Hawthorne for their valuable suggestions improving this paper.
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- POLARIO, a computer program for calculating refractive indices from chemical compositions
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- Erratum
Artikel in diesem Heft
- Highlights and Breakthroughs
- Electron channeling to achieve the full potential of mineralogy
- The inverse problem of unpolarized infrared spectroscopy of geological materials: Estimation from noisy random sampling of a quadratic form
- The distribution of lead and thallium in mantle rocks: Insights from the Balmuccia peridotite massif (Italian Alps)
- Sulfide partial melting and chalcopyrite disease: An experimental study
- Nanoscale partitioning of Ru, Ir, and Pt in base-metal sulfides from the Caridad chromite deposit, Cuba
- Stability of Al-bearing superhydrous phase B at the mantle transition zone and the uppermost lower mantle
- Origin of the fluorine- and beryllium-rich rhyolites of the Spor Mountain Formation, Western Utah
- The mantle source of thermal plumes: Trace and minor elements in olivine and major oxides of primitive liquids (and why the olivine compositions don’t matter)
- The effects of ferromagnetism and interstitial hydrogen on the equation of states of hcp and dhcp FeHx: Implications for the Earth’s inner core age
- Accurate predictions of microscale oxygen barometry in basaltic glasses using V K-edge X-ray absorption spectroscopy: A multivariate approach
- Electrical cell assembly for reproducible conductivity experiments in the multi-anvil
- A vibrational spectroscopic study of kernite to 25 GPa: Implications for the high-pressure stability of borate polyhedra
- Discreditation of bobdownsite and the establishment of criteria for the identification of minerals with essential monofluorophosphate (PO3F2–)
- Adrianite, Ca12(Al4Mg3Si7)O32Cl6, a new Cl-rich silicate mineral from the Allende meteorite: An alteration phase in a Ca-Al-rich inclusion
- MSA Distinguished Lecturer Series
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- Letter
- POLARIO, a computer program for calculating refractive indices from chemical compositions
- Book Review
- Book Review
- Erratum
- Erratum
