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PRYSIGS (10!) CHEMISTRY UU MINERALS .......... In Cooperation with the International Mineralogical Association (IMA) Founding Editors: S.S. Hafner and C.T. Prewitt Edited by |. Jackson, D.L. Kohistedt, K. Langer, A.S. Marfunin Advisory Board T.J. Ahrens Pasadena R. Jeanloz Berkeley E. Salje Cambridge, UK A. Authier Paris J.D.C. McConnell Oxford, UK H. Schmailzried Hannover V.I. Baguin Moscow A.C. McLaren Canberra R.N. Schock Livermore A. Baronnet Marseille N. Morimoto Osaka F. Seifert Bayreuth G.B. Bokij Moscow A. Navrotsky Princeton Y. Syono Sendai M.E. Fleet London, Ontario R.E. Newnham University Park J. Tossell College Park V.M. Gabis Orléans la Source A. Preisinger Vienna V.M. Vinokurov Kazan G.V. Gibbs Blacksburg A. Putnis Cambridge, UK Springer International Physics and Chemistry of Minerals In Cooperation with the International Mineralogical Association (IMA) Founded in 1977. Founding Editor: S.S. Hafner. Volumes 1-9 (1977-1983) edited by S.S. Hafner, A.S. Marfunin, and C.T. Prewitt, from Volume 10 (1984) by I. Jackson, A.S. Marfunin, C.T. Prewitt, F. Seifert from Volume 13 (1986) by |. Jackson, A.S. Marfunin, A. Navrotsky, F. Seifert from Volume 17 (1990) by |. Jackson, K. Langer, A.S. Marfunin, A. Navrotzky from Volume 18 (1991) by I. Jackson, D.L. Kohlstedt, K. Langer, A.S. Marfunin Copyright Submission of a manuscript implies: that the work described has not been published before (except in the form of an abstract or as part of a published lecture, review, or thesis); that it is not under consideration for publication elsewhere; that its publication has been approved by all coauthors; if any, as well as by the responsible authorities at the institute where the work has been carried out; that, if and when the manuscript is accepted for publication, the authors agree to automatic transfer of the copyright to the publisher and that the manuscript will not be published elsewhere in any language without the consent of the copyright holders. All articles published in this journal are protected by copyright, which covers the exclusive rights to reproduce and distribute the article (e.g., as offprints), as well as all translation rights. No material published in this journal may be reproduced photographically or stored on microfilm, in electronic data bases, video disks, etc., without first obtaining written permission from the publisher. The use of general descriptive names, trade names, trademarks, etc., in this publication, even if not specifi- cally identified, does not imply that these names are not protected by the relevant laws and regulations. While the advice and information in this journal is believed to be true and accurate at the date of its going to press, neither the authors, the editors, nor the publisher can accept any legal responsibility for any errors or omissions that may be made. The publisher makes no warranty, express or implied, with respect to the material contained herein. 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Sturtz AG, Wurzburg « Printed on acid-free paper © Springer-Verlag Berlin Heidelberg 1994 Printed in Germany Author Index, Volume 21 Aikawa N — Shinoda K Dingwell DB, Paris E, Seifert F, Mottana Hennion B > Winkler B Akaogi M > Mehta A A, Romano C: X-Ray Absorption Hofmeister AM > Lu R Akaogi M — Yagi A Study of Ti-bearing Silicate Glasses Hu J — Meng Y Allard T, Mulller J-P, Dran J-C, Ménager 501 Huang J-H, Rosen E: Determination of M-T: Radiation-induced Paramagnetic Dingwell DB — Paris E Gibbs Free Energies of Formation for Defects in Natural Kaolinites: Alpha Dollase WA, Seifert F, O’Neill HStC: the Silicates MnSiO,, Mn,SiO, and Dosimetry with Ion Beam Irradiation Structure of Cr,SiO, and Possible Mn,SiO,, in the Temperature Range 85 Metal-Metal Interactions in Crystal and 1000-1350 K by Solid State emf Andrut M > Khomenko VM Melt 104 Measurements 228 Andrut M —> Langer K Doukhan JC — Cordier P Igawa N — Urakawa S Apra E > D’Arco Ph Dove MT — Line CMB lishi K, Hagiya K, Ohmasa M: Circular Bancroft GM > Li D Dove MT — Thayaparam S Diffuse Scattering of Akermanite Baronnet A, Mellini M, Devouard B: Dovesi R > D’Arco Ph Studied by the Optical Diffraction Sectors in Polygonal Serpentine. A Downs RT — Hazen RM Method 6 Model Based on Dislocations 330 Dran J-C — Allard T Indutny VV > Taran MN Baur WH — Stuckenschmidt E Dupree R > Kohn SC Joswig W — Stuckenschmidt E Belluso E > Deriu A Ellsworth S, Navrotsky A, Ewing RC: Kabalov JuK — Kiseleva IA Benco I, Smréok [: Ab Initio Calculated Energetics of Radiation Damage in Kasrai M > Li D Electron Densities for Tetrahedral Sheet Natural Zircon (ZrSiO,) 140 Khomenko VM, Langer K, Andrut M, [H,Si,05], in Phyllosilicates 401 Ewing RC — Ellsworth S Koch-Miiller M, Vishnevsky AA: Single Berman RG —> Rancourt DG Farnan I > Spearing DR Crystal Absorption Spectra of Synthetic Bjorkstam JL > Hatch DM Farver JR — Chakraborty S Ti, Fe-Substituted Pyropes 434 Boehler R > Chopelas A Fei Y > Meng Y Kirkpatrick RJ — Withers RL Boisen MB Jr, Gibbs GV, Bukowinski Feng XH > Li D Kiseleva IA, Kotelnikov AR, Martynov MST: Framework Silica Structures Ferraris G > Deriu A KV, Ogorodova LP, Kabalov JuK: Generated Using Simulated Annealing Figueiredo MO — Waerenborgh JC Thermodynamic Properties of with a Potential Energy Function Based Finger LW —> Hazen RM Strontianite-Witherite Solid Solution on an H,Si,0, Molecule 269 Fisler DK, Mackwell SJ: Kinetics of (Sr,Ba)CO, 392 Brown NE, Ross II CR, Webb SL: Diffusion-Controlled Growth of Ko T > Chopelas A Atomic Displacements in the Normal- Fayalite 156 Koch-Miiller M + Khomenko VM Incommensurate Phase Transition in Fleet ME > Li D Kohlstedt DL — WolfenstineJ Co-Akermanite (Ca,COSi,0,;) 469 Garvie LAJ, Craven AJ: High-resolution Kohn SC, Henderson CMB, Dupree R: Bukowinski MST —> Boisen MB Jr Parallel Electron Energy-loss NMR Studies of the Leucite Analogues Cabral JMP —> Waerenborgh JC Spectroscopy of Mn L, 3-Edges in X,YSi,O,,, where X=K, Rb, Cs; Y= Chakraborty S, Farver JR, Yund RA, Inorganic Manganese Compounds 191 Mg, Zn, Cd 176 Rubie DC: Mg Tracer Diffusion in Gasparik T — Hazen RM Kondo T — Urakawa S Synthetic Forsterite and San Carlos Geiger CA, Rossman GR: Crystal Field Konstantinov LL > Tarassov MP Olivine as a Function of P, T and fO, Stabilization Energies of Almandine- Kotelnikov AR — Kiseleva IA 489 Pyrope and Almandine-Spessartine Kroll H, Schlenz H, Phillips MW: Chang YM > Qin J Garnets Determined by FTIR Near Thermodynamic Modelling of Non- Chang YM — Yeung YY Infrared Measurements 516 Convergent Ordering in Chatterjee ND, Miller K, Olbricht W: Ghose S > Hatch DM Orthopyroxenes: a Comparison of Bayes Estimation: A Novel Approach Gibbs GV —> Boisen MB Jr Classical and Landau Approaches 555 to Derivation of Internally Consistent Gies H — Graetsch H Langer K, Platonov AN, Matsuk SS, Thermodynamic Data for Minerals, Graetsch H, Gies H, Topalovic I: NMR, Andrut M: Electronic Absorption their Uncertainties, and Correlations. XRD and IR Study on Microcrystalline Spectra of Chromium-Bearing Part II: Application 50 Opals 166 Sapphirine 29 Chatterjee ND > Olbricht W Gratz AJ > Cordier P Langer K — Khomenko VM Chopelas A, Boehler R, Ko T: Guyot F > Reynard B Langer K — Taran MN Thermodynamics and Behavior of y- Gwanmesia GD —> Meng Y Langer K — Wildner M Mg,SiO, at High Pressure: Implications Hagiya K — lishi K Leinenweber K — Mehta A for Mg,SiO, Phase Equilibrium 351 Harrison RJ, Salje EKH: X-Ray Li D, Bancroft GM, Kasrai M, Fleet ME, Conrad PG > Hazen RM Diffraction Study of the Displacive Feng XH, Yang BX, Tan KH: S K- Cordier P, Gratz AJ, Doukhan JC, Nellis Phase Transition in Anorthoclase, and L-edge XANES and Electronic WJ: Microstructures of AIPO, Grain-Size Effects and Surface Structure of Some Copper Sulfide subjected to high shock pressures 133 Relaxations 325 Minerals 317 Craven AJ > Garvie LAJ Hatch DM, Ghose S, Bjorkstam JL: The Li X, Mao H-K: Solid Carbon at High D’Arco Ph, Sandrone G, Dovesi R, Apra a—B Phase Transition in AlIPO, Pressure: Electrical Resistivity and E, Saunders VR: A Quantum- Cristobalite: Symmetry Analysis, Phase Transition 1 Mechanical Study of the Relative Domain Structure and Transition Libowitzky E: Anisotropic Pyrite: A Stability under Pressure of MgSiO;- Dynamics 67 Polishing Effect 97 Ilmenite, MgSiO3-Perovskite, and MgO- Hazen RM, Downs RT, Conrad PG, Lin JS, Payne MC, Heine V, McConnell Periclase +S iO,-Stishovite Assemblage Finger LW, Gasparik T: Comparative JDC: Ab Initio Calculations on (OH), 285 Compressibilities of Majorite-Type Defects in «-Quartz 150 Deriu A, Ferraris G, Belluso E: >’Fe Garnets 344 Line CMB, Winkler B, Dove MT: Mossbauer Study of the Asbestiform Heine V > Lin JS Quasielastic Incoherent Neutron Silicates Balangeroite and Heine V > Thayaparam S Scattering Study of the Rotational Carlosturanite 222 Hemley RJ > Palmer DC Dynamics of the Water Molecules in Devouard B — Baronnet A Henderson CMB —> Kohn SC Analcime 451 IV Lu R, Hofmeister AM: Infrared Prewitt CT — Palmer DC Investigation of Cr** Ion-Bearing Spectroscopy of CaGeO, Perovskite to Qin J, Rudowicz C, Chang YM, Yeung Minerals in the Temperature Range 24 GPa and Thermodynamic YY: Correlation of Spectroscopic 77-7197 K 360 Implications 78 Properties and Substitutional Sites of Tarassov MP, Marinov MS, Konstantinov Mackwell SJ — Fisler DK Cr?* in Aluminosilicates: II. Andalusite LL, Zotov NS: Raman Spectroscopy of Mao H-K = Li X and Sillimanite 532 Ferritungstite: Experimental and Model Marinov MS — Tarassov MP Qin J > Yeung YY Spectra 63 Martynov KV — Kiseleva IA Rahman SH —> Paulmann C Thayaparam S, Dove MT, Heine V: A Matsuk SS > Langer K Rancourt DG: Mossbauer Spectroscopy Computer Simulation Study of Al/Si McConnell JDC — Lin JS of Minerals. I. Inadequacy of Ordering in Gehlenite and the Paradox Mehta A, Leinenweber K, Navrotsky A, Lorentzian-line Doublets in Fitting of the Low Transition Temperature Akaogi M: Calorimetric Study of High Spectra Arising from Quadrupole 110 Pressure Polymorphism in FeTiO; : Splitting Distributions 244 Thompson JG —> Withers RL Stability of the Perovskite Phase 207 Rancourt DG: Méssbauer Spectroscopy Topalovic I + Graetsch H Mellini M — Baronnet A of Minerals. II. Problem of Resolving Tunega D > Nagy LT Ménager M-T = Allard T cis and trans Octahedral Fe?* Sites Tyson TA => Paris E Meng Y, Fei Y, Weidner DJ, Gwanmesia 250 Urakawa S, Kondo T, Igawa N, GD, Hu J: Hydrostatic Compression of Rancourt DG, Ping JY, Berman RG: Shimomura O, Ohno H: Synchrotron y-Mg,SiO, to Mantle Pressures and 700 Mossbauer Spectroscopy of Minerals. Radiation Study on the High-Pressure K: Thermal Equation of State and III. Octahedral-site Fe? * Quadrupole and High-Temperature Phase Relations Related Thermoelastic Properties 407 Splitting Distributions in the of KAISi;0g 387 Miller K > Chatterjee ND Phlogopite-annite Series 258 Vishnevsky AA > Khomenko VM Miller K — Olbricht W Reynard B, Guyot F: High-Temperature Waerenborgh JC, Figueiredo MO, Cabral Mottana A — Dingwell DB Properties of Geikielite (MgTiO;- JMP, Pereira LCJ: Powder XRD Mottana A —> Paris E Ilmenite) from High-Temperature High- Structure Refinements and *’Fe Mulller J-P > Allard T Pressure Raman Spectroscopy — Some Mossbauer Effect Study of Synthetic Nagy LT, Tunega D: Theoretical Study of Implications for MgSiO;-Ilmenite 441 Zn, -,Fe,Al,0, (0<x <1) Spinels the Electrostatic Potential of an Romano C — Dingwell DB Annealed at Different Temperatures Idealized Semi-Infinite Crystal of Talc Romano C > Paris E 460 and Vibrational Frequencies of an Rosen E > Huang J-H Webb SL > Brown NE Adsorbed Proton 213 Rosenhauer M — Siewert R Weidner DJ — Meng Y Navrotsky A > Ellsworth S Ross II CR > Brown NE Wildner M, Langer K: Polarized Navrotsky A > Mehta A Ross II CR — Woodland AB Electronic Absorption Spectra of 3d°- Nellis WJ — Cordier P Rossman GR —> Geiger CA configurated Tetravalent Manganese in Ogorodova LP — Kiseleva IA Rubie DC — Chakraborty S Octahedral Fields of Mn(SeO;), Ohmasa M = lishi K Rudowicz C > Qin J 294 Ohno H — Urakawa S Rudowicz C > Yeung YY Winkler B, Hennion B: Low Temperature Olbricht W, Chatterjee ND, Miller K: Salje EKH —> Harrison RJ Dynamics of Molecular H,O in Bayes Estimation: A Novel Approach Sandrone G > D’Arco Ph Bassanite, Gypsum and Cordierite to Derivation of Internally Consistent Saunders VR > D’Arco Ph Investigated by High Resolution Thermodynamic Data for Minerals, Schlenz H — Kroll H Incoherent Inelastic Neutron Scattering their Uncertainties, and Correlations. Seifert FA — Paris E 539 Part I: Theory 36 Seifert F — Dingwell DB Winkler B > Line CMB Olbricht W — Chatterjee ND Seifert F + Dollase WA Withers RL, Thompson JG, Xiao Y, O’Neill HStC — Dollase WA Shimomura O > Urakawa S Kirkpatrick RJ: An Electron Palmer DC, Hemley RJ, Prewitt CT: Shinoda K, Aikawa N: The Orientation Diffraction Study of the Polymorphs of Raman Spectroscopic Study of High- of the OH™ Dipole in an Optically SiO,-Tridymite 421 Pressure Phase Transitions in Anisotropic Crystal: An Application to Wolfenstine J, Kohlstedt DL: High- Cristobalite 481 the OH™ Dipole in Topaz 24 Temperature Creep and Kinetic Paris E, Tyson TA: Iron Site Geometry in Siewert R, Rosenhauer M: Light Decomposition of Ni,SiO, 234 Orthopyroxene: Multiple Scattering Scattering in Jadeite Melt: Strain Woodland AB, Ross II CR: A Calculations and XANES Study 299 Relaxation Measurements by Photon Crystallographic and Mossbauer Paris E, Dingwell DB, Seifert FA, Correlation Spectroscopy 18 Spectroscopy Study of Fe} * Al,Si,;0,,— Mottana A, Romano C: Pressure- Smréok I > Benco I Fe} * Fe} *Si;0,,, (Almandine- Induced Coordination Change of Ti in Spearing DR, Stebbins JF, Farnan I: “Skiagite”) and Ca;Fe3*Si,0,.— Silicate Glass: a XANES Study 510 Diffusion and the Dynamics of Fe? * Fe} *Si,0,, (Andradite-“* Skiagite”) Paris E > Dingwell DB Displacive Phase Transitions in Cryolite Garnet Solid Solutions 117 Paulmann C, Rahman SH, Strothenk S: (Na3AIF,) and Chiolite (Na;Al,F,,): Xiao Y > Withers RL Interpretation of Mullite HREM Images Multi-Nuclear NMR Studies 373 Yagi A, Suzuki T, Akaogi M: High along [010] and [100] 546 Stebbins JF > Spearing DR Pressure Transitions in the System Payne MC - Lin JS Stout JH > Plymate TG KAISi,0,-NaAlSi;0, 12 Pereira LCJ — Waerenborgh JC Strothenk S > Paulmann C Yang BX > Li D Phillips MW — Kroll H Stuckenschmidt E, Joswig W, Baur WH: Yeung YY, Qin J, Chang YM, Rudowicz Ping JY > Rancourt DG Natrolite, Part II: Determination of C: Correlation of Spectroscopic Platonov AN — Langer K Deformation Electron Densities by the Properties and Substitutional Sites of Platonov AN > Taran MN X-X Method 309 Cr3* in Aluminosilicates: I. Kyanite Plymate TG, Stout JH: Pressure-Volume- Suzuki T > Yagi A 526 Temperature Behavior of y-Fe,Si0O, Tan KH > LiD Yeung YY -— Qin J (Spinel) Based on Static Compression Taran MN, Langer K, Platonov AN, Yund RA — Chakraborty S Measurements at 400 °C 413 Indutny VV: Optical Absorption Zotov NS —> Tarassov MP Subject Index, Volume 21 All mineral names occuring in titles, subtitles and abstracts are indexed. Chemical formulae are according to M. Fleischer, Glossary of Mineral Species, 1983 (in some cases simplified) or as given by the author. The numbers refer to the title page. A Chalcocite, Cu,O, electronic ~, tracer-, of Mg in forsterite skiagite solid solutions 117 structure of 317 489 , compressibility of pyrope Akermanite type, Ca,CoSi,0,, Chemical bonding, in copper Diopside, CaMgSi,O,, and majorite type garnets normal to incommensurate sulfide minerals from sulfur electronic absorption spectra 344 , Phase transition 469 K- and L-edge (XANES) of Cr3* in 360 , solid solution Akermanite type phases, phase 317 thermodynamics of transition in, and optical Chemical bonding, and E almandine-pyrope and diffraction 6 electron density in natrolite almandine-spessartine 516 Albhiitge,h pNraeAsIsSuir,e; Oga,n d rehaicgthi ons at 309 Elegcrtaripch itceo ndauncdt ivaimtoyr, phoofu s Gehlenite, Ca,Al(AISi)O,, Chiolite, Na;Al;Fe,,, NMR Al/Si ordering in 110 temperature 12 carbon under high pressure (73Na, ?7Al, °F) and phase Geikielite, MgTiO3;, Raman Alkali feldspar, solid solutions, 1 transition in 373 spectra of, at high pressure high pressure-high Electrochemical measurements, Chrysotile, Mg3Si,0;(OH),, and high temperature 441 temperature reactions in 12 solid state emf and model for polygonization, Glasses, slicate, Ti K-edge Almandine, Fe3Al,(Si0,)3, thermodynamics of based on dislocations 330 spectroscopy (XANES) of electronic absorption spectra Compressibility, of pyrope and manganese silicates 228 501 of solid solutions with Electron diffraction, of majorite type garnets 344 Graphite, C, electric pyrope and spessartine and tridymite polymorphs 421 Computer simulation, of Al/Si conductivity under high thermodynamics 516 Electron energy-loss ordering in gehlenite 110 pressure 1 AIPO,, cristobalite type, «-f spectroscopy (EELS), L,, —, of HRTEM image of Gypsum, CaSO,-2H,0, transition of 67 edges in manganese mullite 546 dynamics of molecular water Analcime, NaAlSi,0,-H,O, Cordierite, Mg,A1,Si;O,., minerals 191 in 539 rotational dynamics of Electronic absorption spectra, dynamics of molecular water molecular water in 451 of Cr3* in kyanite and site in 539 H Annite, K Fe;Si,Al0,.(OH),, geometries in 526 Corundum, Al,O3;, electronic Hercynite, FeAl,O,, solid solid solution with , of Cr?* in sapphirine 29 absorption spectrum of Cr?* solutions with gahnite, phlogopite, nuclear gamma , of Cr?* in silicate minerals in 360 cation ordering in 460 ray resonance of >’Fe in, on changing temperature Covellite, CuS, electronic High pressure, and and band fitting 258 360 structure of 317 coordination of Ti in silicate Anorthoclase, (Na, K) Cristobalite, SiO,, high , of Fe?* in almandine-pyrope glasses 501 AlSi;0,, displacive phase and almandine-spessartine pressure phase transition —, electric conductivity of transition in 325 481 garnets and solid solution graphite and amorphous thermodynamics 516 Cristobalite type, AIPO,, carbon under 1 B , of Fe, Ti substituted pyrope phase transition in 67 , infrared spectra and 434 Bassanite, 2CaSO,-H,O, Cr,SiO4,, structure of and , of Mn** in octahedral field thermodynamic properties of dynamics of molecular water bonding in 104 perovskite type CaGeO, at of oxygen based structure in 539 Cryolite, Na3AIF,, 78 Belangoerite, (Mg, (NMR(?*Na, ?7Al, '°F) and 294 , high temperature phase Electronic charge transfer, Fe?* ,Fe**),,03(OH)20- pase transition in 373 experimental modelling of reactions of K,0-AlI,O,- (Si,O,>2)2, nuclear gamma Crystal growth, of fayalite, 6SiO, from synchrotron FeTi- in pyrope 434 ray resonance of 222 kinetics of 156 studies 387 Electron paramagnetic Berlinite, AIPO,, shock Crystal structure, of Cr,SiO, , phase transition of pressure and microstructures 104 resonance (EPR), on cristobalite 481 paramagnetic defects in of 133 , and polygonization in , Raman spectra of geikielite kaolinite 85 Beryl, Al,Be3Si,0,,. electronic serpentine 330 441 absorption spectra of Cr>* , of synthetic almandine- ,— — equilibria and F in 360 skiagite and andradite- thermodynamics of the Bornite, Cu;FeS,, electronic skiagite solid solutions 117 Fayalite, Fe,SiO,, kinetics of 2MgO-SiO, system structure of 317 Cubanite, CuFe,S;, electronic growth 156 derived from 351 Braunite Mn?* Mn2*SiO,>, structure of 317 Ferritungstite, , reaction in the system thermodynamic properties (K, Ca, Na)(W°* Fe?*)- NaAIlSi,;0,—KAISi,;0, 12 of 228 (O,OH),-H,0, Raman Hydroxyl groups, ab initio D spectra of 63 calculations on (OH), € Forsterite, Mg,SiO,, Mg tracer defects in quartz 150 Defects, dislocations as a basis diffusion in 489 —, orientation of, in optically Calorimetry, of ilmenite and its of a model for polygoniza- anisotropic crystals 24 high pressure polymorph tion in serpentine 330 G 207 —, and high resolution electron —,of zircons 140 microscopy of mullite 546 Gahnite, ZnAl,0,, solid Carlosturanite, (Mg, —, radiation induced in solutions with hercynite, Ilmenite type MgSiO;, Fe), 1(Si;2023(OH)2)(OH)30° kaolinite 85 cation ordering in 460 quantum mechanical H,O, nuclear gamma ray Diffusion, and kinetics of Garnet group, almandine- calculation of relative resonance of 222 fayalite growth 156 skiagite and andradite- pressure stability 285 VI Infrared absorption (IR) water in bassanite, gypsum —, in tridymite, by electron S spectra, of opals 166 and cordierite 539 diffraction 421 ~, of perovskite type CaGeO, —,-, and rotational dynamics Phlogopite, Sanidine, KAISi,Og,, reactions at high pressures 78 of H,O in analcime 451 KMg,Si3Al0,.(OH),, solid at high pressure and high Nuclear gamma ray resonance solution with annite, Nuclear temperature 12 K (NGR), of °’Fe in gamma ray rasonance of Sapphirine, almandine-skiagite and °7Fe band fitting in 258 (Mg, Al)s(Al, Si)5020, Kaolinite, Al,Si,0;(OH),, andradite-skiagite garnets Phyllosilicate group, ab initio electronic absorption spectra paramagnetic defects in 85 117 calculation of electron of Cr?* in 29 Kinetics, of diffusion , of belangeroite and density for the tetrahedral Serpentine group, model for controlled growth of fayalite carlosturanite 222 sheet 401 polygonization based on 156 , of hercynite-gahnite solid Pyrite, FeS,, optical dislocations 330 Kyanite, Al,SiO,, site solutions 460 anisotropy, a polishing Shock effects, and geometries and Cr>* energy , of octahedral *7Fe?* in effect 97 microstructural defects in levels in 526 plogopite-annite micas and Pyrope, Mg,Al1,(SiO,)3, berlinite 133 band fitting 258 compressibility of 344 Solid solution thermodynamics, L , of paramagnetic >’Fe , electronic absorption hercynite-gahnite solid Leucite type phases, ?°Si NMR minerals and theory of band spectrum of Cr** in 360 solutions 460 study of 176 fitting 244, 250 , solid solution with , of almandine-pyrope and Liebenbergite Ni,SiO,, creep Nuclear magnetic resonance almandine, electronic almandine spessartine and kinetic decomposition (NMR), of 73Na, ?7Al, 19F absorption spectra and garnets, influence of Fe?* of 234 and phase transitions in thermodynamics of 516 crystal field stabilization Light scattering, circular cryolite and chiolite 373 , Fe,Ti-substituted, electronic 516 diffuse, by optical —,?°Si in opals 166 absorption spectra of 434 , of almandine-skiagite and diffraction, and phase ~,— — synthetic leucite type Pyroxene group, andradite-skiagite garnets transition in akermanite 6 phases 176 orthopyroxenes, {17 —, and strain relaxation in thermodynamic modelling of , modelling of cation ordering NaAlSi,0, melt 18 cation distribution in 555 in orthopyroxenes 555 O Lizardite, Mg3,Si,0;(OH),, ~,-, XANES spectra and MO , Strontianite-witherite solid chrysotile to lizardite Olivine group, Ni,SiO,, creep calculations of iron sites solutions 392 transition as a basis for a and kinetic decomposition in 299 Spessartine, Mn3Al,(SiO4)3, model of serpentine of 234 solid solution with polygonization 330 Opal, SiO,-nH,0, NMR, almandine, electronic Q Lonsdalite, C 1 XRD, IR on absorption spectra and microcrystalline 166 Quantum mechanics, ab initio thermodynamics of 516 M Optical absorption spectra, cf. calculation of electron Spinel group, y-Fe,SiO,, electronic absorption density of (H,Si,05) thermodynamic properties Manganese minerals, Mn-L,3 - spectra tetrahedral sheet 401 413 edges, electron energy-loss Order-disorder, Al/Si in ,—- — —on (OH), defects in —, y-Mg,SiO,, thermodynamic spectroscopy 191 gehlenite, computer quartz 150 properties and reactions Melts, strain relaxation and simulation of 110 , ab initio potential 351, 407 light scattering in — in hercynite-gahnite solid calculations on H,Si,0, Spinel, MgA1,0,, electronic NaAISi,O,- 18 Mica group, phlogopite-annite solutions 460 and modelling of absorption spectrum of Cr3* solid solutions, nuclear framework silicas 269 in 360 , calculation of the relative Strontianite, SrCO;, solid gamma ray resonance of P °7Fe and band fitting 258 pressure stability of phases solution with witherite, Perovskite type, CaGeO;, in the system MgO-SiO, thermodynamic properties Mossbauer spectroscopy, cf. infrared spectra at high 285 of 392 Nuclear gamma ray pressures 78 Synthetic minerals, kermanite resonance (NGR) , MgSiO;, quantum type 6 Modelling, of Al/Si ordering in R mechanical calculation of -, alkalifeldspars 12 gehlenite 110 relative pressure stability Raman spectra, of cristobalite , almandine-pyrope garnets , of cation ordering in 285 at high pressure 481 516 orthopyroxenes by classical —, FeTiO3, thermodynamic , of ferritungstite 63 , almandine-spessartine and Landau approaches 555 , electrostatic potential of talc stability of 207 , of geikielite at high pressure garnets 516 Phase transition, in cristobalite and high temperature 441 almandine-skiagite garnets and vibrational frequency of at high pressure 481 ~, high pressure, of y-Mg,SiO, 117 an adsorbed proton 213 —, a-B of cristobalite type and equilibria in the system , andradite-skiagite garnets , of framework silica AIPO, 67 2MgO-SiO, 351 117 structures 269 , displacive, in anorthoclase Rhodonite, MnSiO;, ,annite 258 Mullite, Al,Si,0,3, high 325 thermodynamic properties , berlinite 67, 133 resolution electron —,—, in cryolite and chiolite of 228 , braunite 228 microscopy of, and its 373 Ringwoodite, y— Mg,SiO,, , fayalite 156 modelling 546 , graphite to lonsdalite at high equation of state and , hercynite-gahnite solid pressure, and electric thermodynamic properties solutions 460 N conductivity 1 407 , ilmenite 207 Natrolite, Na,Al,Si;0,9° , normal to incommensurate, —,— thermodynamics and the , liebenbergite 234 2H,O, deformation electron in akermanite type phase diagram of the , majorite 344 densities in 309 Ca,CoSi,0, 469 system 2MgO-SiO, from , phlogopite 258 Neutron scattering, inelastic, -, and optical diffraction in high pressure Raman ,pyrope 434 and dynamics of molecular akermanite 6 spectra 351 ,tThodonite 228 —,tephroite 228 —, manganese silicates 228 Vv —, by opals —, of strontianite-whitherite —, structure refinements on Vibrational spectra, of ¥ solid solutions 392 hercynite-gahnite solid ferritungstite, experimental Talc, Mg3Si,0,.(OH),, Topaz, Al,Si0,(OH,F),, and calculated 63 solutions 460 electronic absorption spectra —,—-, on synthetic almandine- computation of the ~, cf. infrared absorption (IR) of Cr>* in 360 skiagite and andradite- electrostatic potential and spectra, and Raman spectra —, orientation of OH in 24 skiagite solid solutions vibrational frequency of an adsorbed proton 213 Transmission electron Ww 117 microscopy (TEM), high X-ray spectra, (XANES) and Tephroite, Mn,SiO,, resolution, of mullite 546 Water, molecular, dynamics in MO calculations on the iron thermodynamic properties of 228 , and MnL, , edge EELS of bassanite, gypsum and sites in orthopyroxene 299 manganese minerals 191 cordierite 539 —,-, (XANES) sulfur K- and Thermodynamic properties, , shock pressurized berlinite —,-,in analcime 451 L-edge of copper sulfide equation of state of y- 133 Witherite, BaCO3;, solid minerals 317 Mg,SiO, 351 , of minerals, calculation of Tridymite, SiO,, phase solution with strontianite, ~, (XANES) of Ti K-edge in transition in 421 thermodynamic properties Ti-bearing silicate glasses internally consistent data by 392 501 Bayes estimation 36, 50 , pVT-data for y-Fe,SiO, 413 U xX Z , of perovskite type CaGeO, at high pressures 78 Uvarovite, Ca;Cr,(SiO,);, X-ray diffraction, on displacive Zircon, ZrSiO,, radiation , and radiation damage in electronic absorption phase transition in damage and thermodynamic zircons 140 spectrum of 360 anorthoclase 325 properties of 140

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