Skip to main content
Article
Licensed
Unlicensed Requires Authentication

Thermodynamic, elastic, and vibrational (IR/Raman) behavior of mixed type-AB carbonated hydroxylapatite by density functional theory

  • ORCID logo , and
Published/Copyright: November 24, 2021
Become an author with De Gruyter Brill
Author Information
American Mineralogist
From the journal American Mineralogist Volume 106 Issue 12

Abstract

The present investigation reports the equation of state, thermodynamic, and thermoelastic properties of type AB carbonated apatite [CAp-AB, Ca10(CO3)B(PO4)5(CO3)A, space group P1], as obtained from density functional theory simulations and the quasi-harmonic approximation. The static (0 K) third-order Birch-Murnaghan equation of state resulted in the parameters K0 = 104.3(8) GPa, K′ = 4.3(1), and V0 = 517.9(2) Å3, whereas at room temperature (300 K) they were KT = 101.98 GPa, K′ = 4.12, and V0 = 524.486 GPa. Thermodynamics and thermoelasticity were calculated in the temperature range 0–800 K and between 0 and 30 GPa.

Furthermore, the dependence of the infrared/Raman spectra of type-AB carbonated apatite with pressure is also reported, which could be useful for researchers interested in vibrational spectroscopy. The theoretical results corroborate the few experimental ones on a similar type-AB carbonated hydroxylapatite and provide further details over wide pressure and temperature ranges on the elastic, thermodynamic, and infrared/Raman properties of this important mineral found in both geological and biological environments.

Keywords: Type-AB carbonated apatite; thermodynamic properties; elastic properties; density functional theory; quasi-harmonic approximation

Funding statement: The present work was supported by the Regione Emilia Romagna Project No. PA2019-11452/RER.

References cited

Albee, F.H. (1920) Studies in bone growth—Triple calcium phosphate as stimulus to osteogenesis. Annals of Surgery, 71, 32–39.Search in Google Scholar

Anderson, O.L. (1995) Equation of State of Solids for Geophysics and Ceramic Science, 405 p. Oxford University Press.Search in Google Scholar

Astala, R., and Stott, M.J. (2005) First principles investigation of mineral component of bone: CO3 substitutions in hydroxyapatite. Chemistry of Materials, 17, 4125–4133.10.1021/cm050523bSearch in Google Scholar

Barinov, S.M., Rau, J.V., Cesaro, S.N., Durisin, J., Fadeeva, I.V., Ferro, D., Medvecky, L., and Trionfetti, G. (2006) Carbonate release from carbonated hydroxyapatite in the wide temperature rage. Journal of Materials Science, 17, 597–604.10.1007/s10856-006-9221-ySearch in Google Scholar PubMed

Becke, A.D. (1993) Density-functional thermochemistry. III. The role of exact exchange. The Journal of Chemical Physics, 98, 5648–5652.10.1063/1.464913Search in Google Scholar

Belmonte, D. (2017) First principles thermodynamics of minerals at HP-HT conditions: MgO as a prototypical material. Minerals, 7, 183.10.3390/min7100183Search in Google Scholar

Belmonte, D., Gatti, C., Ottonello, G., Richet, P., and Zuccolini, M.V. (2016) Ab initio thermodynamic and thermophysical properties of sodium metasilicate, Na2SiO3, and their electron-density and electron-pair-density counterparts. The Journal of Physical Chemistry A, 120, 8881–8895.10.1021/acs.jpca.6b08676Search in Google Scholar PubMed

Birch, F. (1947) Finite elastic strain of cubic crystal. Physical Review, 71, 809–824.10.1103/PhysRev.71.809Search in Google Scholar

Brunet, F., Allan, D.R., Redfern, S.A.T., Angel, R.J., Miletich, R., Reichmann, H.J., Sergent, J., and Hanfland, M. (1999) Compressibility and thermal expansivity of synthetic apatites, Ca5(PO4)3 X with X = OH, F and Cl. European Journal of Mineralogy, 11, 1023–1035.10.1127/ejm/11/6/1023Search in Google Scholar

Catti, M., Pavese, A., Dovesi, R., and Saunders, V.R. (1993) Static lattice and electron properties of MgCO3 (magnesite) calculated by ab-initio periodic Hartree-Fock methods. Physical Review B: Condensed Matter, 47, 9189–9198.10.1103/PhysRevB.47.9189Search in Google Scholar PubMed

Civalleri, B., Zicovich-Wilson, C.M., Valenzano, L., and Ugliengo, P. (2008) B3LYP augmented with an empirical dispersion term (B3LYP-D*) as applied to molecular crystals. CrystEngComm, 10, 405–410.10.1039/B715018KSearch in Google Scholar

Corno, M., Busco, C., Civalleri, B., and Ugliengo, P. (2006) Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca10(PO4)6(OH)2. Physical Chemistry Chemical Physics, 8, 2464–2472.10.1039/b602419jSearch in Google Scholar PubMed

Cuscó, R., Guitián, F., Aza, SD., and Artús, L. (1998) Differentiation between hydroxyapatite and β-tricalcium phosphate by means of μ-Raman spectroscopy. Journal of the European Ceramic Society, 18, 1301–1305.10.1016/S0955-2219(98)00057-0Search in Google Scholar

De La Pierre, M., and Belmonte, D. (2016) Ab initio investigation of majorite and pyrope garnets: Lattice dynamics and vibrational spectra. American Mineralogist, 101, 162–174.10.2138/am-2016-5382Search in Google Scholar

Demichelis, R., Civalleri, B., Ferrabone, M., and Dovesi, R. (2010) On the performance of eleven DFT functionals in the description of the vibrational properties of aluminosilicates. International Journal of Quantum Chemistry, 110, 406–415.10.1002/qua.22301Search in Google Scholar

Dorozhkin, S.V. (2009) Calcium orthophosphates in nature, biology and medicine. Materials, 2, 399–498.10.3390/ma2020399Search in Google Scholar

Dorozhkin, S.V. (2010) Nanosized and nanocrystalline calcium orthophosphates. Acta Biomaterialia, 6, 715–734.10.1016/j.actbio.2009.10.031Search in Google Scholar

Dorozhkin, S.V. (2011) Calcium orthophosphates: occurrence, properties, biomineralization, pathological calcification and biomimetic applications. Biomatter, 1, 121–164.10.4161/biom.18790Search in Google Scholar

Dovesi, R., Roetti, C., Freyria Fava, C., Prencipe, M., and Saunders, V.R. (1991) On the elastic properties of lithium, sodium an potassium oxide. An ab initio study. Chemical Physics, 156, 11–19.10.1016/0301-0104(91)87032-QSearch in Google Scholar

Dovesi, R., De La Pierre, M., Ferrari, A.M., Pascale, F., Maschio, L., and Zicovich-Wilson, C.M. (2011) The IR vibrational properties of six members of the garnet family: A quantum mechanical ab initio study. American Mineralogist, 96, 1787–1798.10.2138/am.2011.3804Search in Google Scholar

Dovesi, R., Erba, A., Orlando, R., Zicovich-Wilson, C.M., Civalleri, B., Maschio, L., Rerat, M., Casassa, S., Baima, J., Salustro, S., and Kirtman, B. (2018) Quantum-mechanical condensed matter simulations with CRYSTAL. Wiley Interdisciplinary Reviews-Computational Molecular Science, 8, E1360.10.1002/wcms.1360Search in Google Scholar

Elliott, J.C. (2002) Calcium phosphate biominerals. Reviews in Mineralogy and Geochemistry, 48, 427–453.10.1515/9781501509636-014Search in Google Scholar

Erba, A. (2014) On combining temperature and pressure effects on structural properties of crystals with standard ab initio techniques. The Journal of Chemical Physics, 141, 124115.10.1063/1.4896228Search in Google Scholar

Erba, A., Mahmoud, A., Belmonte, D., and Dovesi, R. (2014) High pressure elastic properties of minerals from ab initio simulations: The case of pyrope, grossular and andradite silicate garnets. The Journal of Chemical Physics, 140, 124703.10.1063/1.4869144Search in Google Scholar

Ferrero, M., Rerat, M., Kirtman, B., and Dovesi, R. (2008a) Calculation of first and second static hyperpolarizabilities of one- to three-dimensional periodic compounds. Implementation in the CRYSTAL code. The Journal of Chemical Physics, 129, 244110.10.1063/1.3043366Search in Google Scholar

Ferrero, M., Rerat, M., Orlando, R., and Dovesi, R. (2008b) The calculation of static polarizabilities of 1-3D periodic compounds. The implementation in the CRYSTAL code. Journal of Computational Chemistry, 29, 1450–1459.10.1002/jcc.20905Search in Google Scholar

Ferrero, M., Rerat, M., Orlando, R., and Dovesi, R. (2008c) Coupled perturbed Hartree-Fock for periodic systems: The role of symmetry and related computational aspects. Journal of Chemical Physics, 128.10.1063/1.2817596Search in Google Scholar

Ferrero, M., Rerat, M., Orlando, R., Dovesi, R., and Bush, I.J. (2008d) Coupled perturbed Kohn-Sham calculation of static polarizabilities of periodic compounds. Ab Initio Simulation of Crystalline Solids: History and Prospects— Contributions in Honor of Cesare Pisani, 117, 012016.10.1088/1742-6596/117/1/012016Search in Google Scholar

Fleet, M.E. (2009) Infrared spectra of carbonate apatites: ν2-Region bands. Bio-materials, 30, 1473–1481.10.1016/j.biomaterials.2008.12.007Search in Google Scholar

Fleet, M.E., and Liu, X. (2007) Coupled substitution of type A and B carbonate in sodium-bearing apatite. Biomaterials, 28, 916–926.10.1016/j.biomaterials.2006.11.003Search in Google Scholar

Fleet, M.E., and Liu, X. (2008) Type A-B carbonate chlorapatite synthesized at high pressure. Journal of Solid State Chemistry, 181, 2494–2500.10.1016/j.jssc.2008.06.016Search in Google Scholar

Fleet, M.E., and Liu, X.Y. (2003) Carbonate apatite type A synthesized at high pressure: New space group (P3) and orientation of channel carbonate ion. Journal of Solid State Chemistry, 174, 412–417.10.1016/S0022-4596(03)00281-0Search in Google Scholar

Fleet, M.E., and Liu, X.Y. (2004) Location of type B carbonate ion in type A-B carbonate apatite synthesized at high pressure. Journal of Solid State Chemistry, 177, 3174–3182.10.1016/j.jssc.2004.04.002Search in Google Scholar

Fleet, M.E., Liu, X.Y., and King, P.L. (2004) Accommodation of the carbonate ion in apatite: An FTIR and X-ray structure study of crystals synthesized at 2–4 GPa. American Mineralogist, 89, 1422–1432.10.2138/am-2004-1009Search in Google Scholar

Fleet, M.E., Liu, X.Y., and Liu, X. (2011) Orientation of channel carbonate ions in apatite: Effect of pressure and composition. American Mineralogist, 96, 1148–1157.10.2138/am.2011.3683Search in Google Scholar

Grimme, S. (2006) Semiempirical GGA-type density functional constructed with a long-range dispersion correction. Journal of Computational Chemistry, 27, 1787–1799.10.1002/jcc.20495Search in Google Scholar PubMed

Hebbache, M., and Zemzemi, M. (2004) Ab initio study of high-pressure behavior of a low compressibility metal and a hard material: Osmium and diamond. Physical Review B, 70.Search in Google Scholar

Khan, A.F., Awais, M., Khan, A.S., Tabassum, S., Chaudhry, A.A., and Rehman, I.U. (2013) Raman spectroscopy of natural bone and synthetic apatites. Applied Spectroscopy Reviews, 48, 329–355.10.1080/05704928.2012.721107Search in Google Scholar

Kieffer, S.W. (1979) Thermodynamics and lattice vibrations of minerals—1. Mineral heat capacities and their relationships to simple lattice vibrational models. Reviews of Geophysics, 17, 1–19.10.1029/RG017i001p00001Search in Google Scholar

Lee, C.T., Yang, W.T., and Parr, R.G. (1988) Development of the Colle-Salvetti correlation-energy formula into a functional of the electron-density. Physical Review B: Condensed Matter, 37, 785–789.10.1103/PhysRevB.37.785Search in Google Scholar

Liu, X., Shieh, S.R., Fleet, M.E., Zhang, L.F., and He, Q.A. (2011) Equation of state of carbonated hydroxylapatite at ambient temperature up to 10 GPa: Significance of carbonate. American Mineralogist, 96, 74–80.10.2138/am.2011.3535Search in Google Scholar

Maschio, L., Kirtman, B., Rerat, M., Orlando, R., and Dovesi, R. (2013a) Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. I. Theory. The Journal of Chemical Physics, 139, 164101.10.1063/1.4824442Search in Google Scholar PubMed

Maschio, L., Kirtman, B., Rerat, M., Orlando, R., and Dovesi, R. (2013b) Ab initio analytical Raman intensities for periodic systems through a coupled perturbed Hartree-Fock/Kohn-Sham method in an atomic orbital basis. II. Validation and comparison with experiments. Journal of Chemical Physics, 139, 164102.10.1063/1.4824443Search in Google Scholar PubMed

Monkhorst, H.J., and Pack, J.D. (1976) Special points for Brillouin-zone integrations. Physical Review B, 13, 5188–5192.10.1103/PhysRevB.13.5188Search in Google Scholar

Pascale, F., Zicovich-Wilson, C.M., Gejo, F.L., Civalleri, B., Orlando, R., and Dovesi, R. (2004) The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code. Journal of Computational Chemistry, 25, 888–897.10.1002/jcc.20019Search in Google Scholar PubMed

Peccati, F., Corno, M., Delle Piane, M., Ulian, G., Ugliengo, P., and Valdrè, G. (2014) CO32– mobility in carbonate apatite as revealed by density functional modeling. The Journal of Physical Chemistry C, 118, 1364–1369.10.1021/jp4108415Search in Google Scholar

Peeters, A., De Maeyer, E.A.P., Van Alsenoy, C., and Verbeeck, R.M.H. (1997) Solids modeled by ab initio crystal-field methods.12. Structure, orientation, and position of A-type carbonate in a hydroxyapatite lattice. The Journal of Physical Chemistry B, 101, 3995–3998.10.1021/jp964041mSearch in Google Scholar

Peroos, S., Du, Z., and de Leeuw, N.H. (2006) A computer modelling study of the uptake, structure and distribution of carbonate defects in hydroxy-apatite. Biomaterials, 27, 2150–2161.10.1016/j.biomaterials.2005.09.025Search in Google Scholar PubMed

Pezzotti, G., Zhu, W.L., Boffelli, M., Adachi, T., Ichioka, H., Yamamoto, T., Marunaka, Y., and Kanamura, N. (2015) Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: I, theoretical foundations. Analytical and Bioanalytical Chemistry, 407, 3325–3342.10.1007/s00216-015-8472-1Search in Google Scholar PubMed

Pezzotti, G., Rondinella, A., Marin, E., Zhu, W., Aldini, N.N., Ulian, G., and Valdrè, G. (2017) Raman spectroscopic investigation on the molecular structure of apatite and collagen in osteoporotic cortical bone. Journal of the Mechanical Behavior of Biomedical Materials, 65, 264–273.10.1016/j.jmbbm.2016.08.030Search in Google Scholar PubMed

Pham Minh, D., Tran, N.D., Nzihou, A., and Sharrock, P. (2014) Novel one-step synthesis and characterization of bone-like carbonated apatite from calcium carbonate, calcium hydroxide and orthophosphoric acid as economical starting materials. Materials Research Bulletin, 51, 236–243.10.1016/j.materresbull.2013.12.020Search in Google Scholar

Placzek, G. (1934) Handbuch der Radiologie. 208 p. Akademische Verlagsgeselschft, Leipzig.Search in Google Scholar

Prencipe, M., Scanavino, I., Nestola, F., Merlini, M., Civalleri, B., Bruno, M., and Dovesi, R. (2011) High-pressure thermoelastic properties of beryl (Al4Be6Si12O36) from ab initio calculations, and observations about the source of thermal expansion. Physics and Chemistry of Minerals, 38, 223–239.10.1007/s00269-010-0398-8Search in Google Scholar

Rabone, J.A.L., and de Leeuw, N.H. (2007) Potential routes to carbon inclusion in apatite materials: A DFT study. Physics and Chemistry of Minerals, 34, 495–506.10.1007/s00269-007-0165-7Search in Google Scholar

Rehman, I., and Bonfield, W. (1997) Characterization of hydroxyapatite and carbonated apatite by photo acoustic FTIR spectroscopy. Journal of Materials Science: Materials in Medicine, 8, 1–4.10.1023/A:1018570213546Search in Google Scholar

Suda, H., Yashima, M., Kakihana, M., and Yoshimura, M. (1995) Monoclinic ↔ hexagonal phase transition in hydroxyapatite studied by X-ray powder diffraction and differential scanning calorimeter techniques. Journal of Physical Chemistry, 99, 6752–6754.10.1021/j100017a068Search in Google Scholar

Tosoni, S., Pascale, F., Ugliengo, P., Orlando, R., Saunders, V.R., and Dovesi, R. (2005) Quantum mechanical calculation of the OH vibrational frequency in crystalline solids. Molecular Physics, 103, 2549–2558.10.1080/00268970500180808Search in Google Scholar

Tsuda, H., and Arends, J. (1994) Orientational micro-Raman spectroscopy on hydroxyapatite single crystals and human enamel crystallites. Journal of Dental Research, 73, 1703–1710.10.1177/00220345940730110501Search in Google Scholar PubMed

Ulian, G., and Valdrè, G. (2018a) Effect of mechanical stress on the Raman and Infrared bands of hydroxylapatite: a quantum mechanical first principle investigation. Journal of the Mechanical Behavior of Biomedical Materials, 77, 683–692.10.1016/j.jmbbm.2017.10.029Search in Google Scholar PubMed

Ulian, G., and Valdrè, G. (2018b) Equation of state of hexagonal hydroxylapatite (P63) as obtained from density functional theory simulations. International Journal of Quantum Chemistry, 118, e25553.10.1002/qua.25553Search in Google Scholar

Ulian, G., and Valdrè, G. (2019) First principle investigation of the thermomechanical properties of type A carbonated apatite. International Journal of Quantum Chemistry, 120, e26069.10.1002/qua.26069Search in Google Scholar

Ulian, G., and Valdrè, G. (2020) Thermodynamic and thermoelastic data of georesources raw minerals: Zinc sulphide and apatite. Data in Brief, 29, 105265.10.1016/j.dib.2020.105265Search in Google Scholar PubMed PubMed Central

Ulian, G., Moro, D., and Valdrè, G. (2016) First-principles study of structural and surface properties of (001) and (010) surfaces of hydroxylapatite and carbonated hydroxylapatite. Journal of Applied Crystallography, 49, 1893–1903.10.1107/S160057671601390XSearch in Google Scholar

Ulian, G., Moro, D., and Valdrè, G. (2018) Probing the interaction of (001) carbonated hydroxylapatite surfaces with water: A density functional investigation. Micro & Nano Letters, 13, 4–8.10.1049/mnl.2017.0058Search in Google Scholar

Ulian, G., Moro, D., and Valdrè, G. (2020) Thermodynamic and thermoelastic properties of wurtzite-ZnS by density functional theory. American Mineralogist, 8, 1212–1222.10.2138/am-2020-7330Search in Google Scholar

Ulian, G., Valdrè, G., Corno, M., and Ugliengo, P. (2013a) Periodic ab initio bulk investigation of hydroxylapatite and type A carbonated apatite with both pseudopotential and all-electron basis sets for calcium atoms. American Mineralogist, 98, 410–416.10.2138/am.2013.4171Search in Google Scholar

Ulian, G., Valdrè, G., Corno, M., and Ugliengo, P. (2013b) The vibrational features of hydroxylapatite and type A carbonated apatite: a first principle contribution. American Mineralogist, 98, 752–759.10.2138/am.2013.4315Search in Google Scholar

Ulian, G., Valdrè, G., Corno, M., and Ugliengo, P. (2014) DFT investigation of structural and vibrational properties of type B and mixed A-B carbonated hydroxylapatite. American Mineralogist, 99, 117–127.10.2138/am.2014.4542Search in Google Scholar

Valenzano, L., Torres, F.J., Klaus, D., Pascale, F., Zicovich-Wilson, C.M., and Dovesi, R. (2006) Ab initio study of the vibrational spectrum and related properties of crystalline compounds; the case of CaCO3 calcite. Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, 220, 893–912.Search in Google Scholar

Valenzano, L., Noel, Y., Orlando, R., Zicovich-Wilson, C.M., Ferrero, M., and Dovesi, R. (2007) Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite. Theoretical Chemistry Accounts, 117, 991–1000.10.1007/s00214-006-0213-2Search in Google Scholar

Yoder, C.H., Bollmeyer, M.M., Stepien, K.R., and Dudrick, R.N. (2019) The effect of incorporated carbonate and sodium on the IR spectra of A- and AB-type carbonated apatites. American Mineralogist, 104, 869–877.10.2138/am-2019-6800Search in Google Scholar
Received: 2020-09-25
Accepted: 2020-12-21
Published Online: 2021-11-24
Published in Print: 2021-12-20

© 2021 Mineralogical Society of America

Articles in the same Issue

  1. Contrasting magma compositions between Cu and Au mineralized granodiorite intrusions in the Tongling ore district in South China using apatite chemical composition and Sr-Nd isotopes
  2. Halogen heterogeneity in the subcontinental lithospheric mantle revealed by I/Br ratios in kimberlites and their mantle xenoliths from South Africa, Greenland, China, Siberia, Canada, and Brazil
  3. Mineralogy of the 2019 Aguas Zarcas (CM2) carbonaceous chondrite meteorite fall
  4. Keplerite, Ca9(Ca0.5◻0.5)Mg(PO4)7, a new meteoritic and terrestrial phosphate isomorphous with merrillite, Ca9NaMg(PO4)7
  5. Thermodynamic, elastic, and vibrational (IR/Raman) behavior of mixed type-AB carbonated hydroxylapatite by density functional theory
  6. Internal stress-induced recrystallization and diffusive transport in CaTiO3-PbTiO3 solid solutions: A new transport mechanism in geomaterials and its implications for thermobarometry, geochronology, and geospeedometry
  7. Experimental determination of carbon diffusion in liquid iron at high pressure
  8. Reduction of structural Fe(III) in nontronite by humic substances in the absence and presence of Shewanella putrefaciens and accompanying secondary mineralization
  9. Trace-element segregation to dislocation loops in experimentally heated zircon
  10. Tin isotopes via fs-LA-MC-ICP-MS analysis record complex fluid evolution in single cassiterite crystals
  11. Tracking dynamic hydrothermal processes: Textures, in-situ Sr-Nd isotopes, and trace-element analysis of scheelite from the Yangjiashan vein-type W deposit, South China
  12. Oxygen isotope evidence for input of magmatic fluids and precipitation of Au-Ag-tellurides in an otherwise ordinary adularia-sericite epithermal system in NE China
  13. Thalliomelane, TlMn4+7.5 Cu2+0.5 O16, a new member of the coronadite group from the preglacial oxidation zone at Zalas, southern Poland
  14. New Mineral Names: Diamonds, Dumps, and Fumaroles
https://doi.org/10.2138/am-2021-7826
Keywords for this article
Type-AB carbonated apatite; thermodynamic properties; elastic properties; density functional theory; quasi-harmonic approximation

Articles in the same Issue

  1. Contrasting magma compositions between Cu and Au mineralized granodiorite intrusions in the Tongling ore district in South China using apatite chemical composition and Sr-Nd isotopes
  2. Halogen heterogeneity in the subcontinental lithospheric mantle revealed by I/Br ratios in kimberlites and their mantle xenoliths from South Africa, Greenland, China, Siberia, Canada, and Brazil
  3. Mineralogy of the 2019 Aguas Zarcas (CM2) carbonaceous chondrite meteorite fall
  4. Keplerite, Ca9(Ca0.5◻0.5)Mg(PO4)7, a new meteoritic and terrestrial phosphate isomorphous with merrillite, Ca9NaMg(PO4)7
  5. Thermodynamic, elastic, and vibrational (IR/Raman) behavior of mixed type-AB carbonated hydroxylapatite by density functional theory
  6. Internal stress-induced recrystallization and diffusive transport in CaTiO3-PbTiO3 solid solutions: A new transport mechanism in geomaterials and its implications for thermobarometry, geochronology, and geospeedometry
  7. Experimental determination of carbon diffusion in liquid iron at high pressure
  8. Reduction of structural Fe(III) in nontronite by humic substances in the absence and presence of Shewanella putrefaciens and accompanying secondary mineralization
  9. Trace-element segregation to dislocation loops in experimentally heated zircon
  10. Tin isotopes via fs-LA-MC-ICP-MS analysis record complex fluid evolution in single cassiterite crystals
  11. Tracking dynamic hydrothermal processes: Textures, in-situ Sr-Nd isotopes, and trace-element analysis of scheelite from the Yangjiashan vein-type W deposit, South China
  12. Oxygen isotope evidence for input of magmatic fluids and precipitation of Au-Ag-tellurides in an otherwise ordinary adularia-sericite epithermal system in NE China
  13. Thalliomelane, TlMn4+7.5 Cu2+0.5 O16, a new member of the coronadite group from the preglacial oxidation zone at Zalas, southern Poland
  14. New Mineral Names: Diamonds, Dumps, and Fumaroles
Downloaded on 24.4.2026 from https://www.degruyterbrill.com/document/doi/10.2138/am-2021-7826/html?lang=en
Scroll to top button